 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer01_STD_M11_augccpVDZ.in
 Output=30_ibuprofen_conformer01_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/30_ibuprofen/Gau-25262.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/30_ibuprofen/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     25264.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer01_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep 13 11:40:14 2021, MaxMem=  6442450944 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer01_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.646549000000     -0.738131000000     -0.801564000000
  C                                                -1.432592000000     -0.511522000000      0.329783000000
  C                                                 0.680010000000     -0.338401000000     -0.847846000000
  C                                                 1.266867000000      0.302071000000      0.243935000000
  C                                                 0.492409000000      0.520436000000      1.377965000000
  C                                                -0.838534000000      0.122026000000      1.417910000000
  C                                                -2.882387000000     -0.913637000000      0.347539000000
  C                                                -3.797679000000      0.013396000000     -0.476375000000
  C                                                -3.787727000000      1.442814000000      0.061806000000
  C                                                -5.218015000000     -0.547768000000     -0.520760000000
  C                                                 2.713060000000      0.767110000000      0.191830000000
  C                                                 3.602939000000     -0.429270000000     -0.086386000000
  O                                                 3.981236000000     -0.787282000000     -1.171710000000
  O                                                 3.915201000000     -1.096316000000      1.047826000000
  H                                                -1.080077000000     -1.240686000000     -1.658424000000
  H                                                 1.270566000000     -0.537518000000     -1.733203000000
  H                                                 0.933056000000      1.005917000000      2.240389000000
  H                                                -1.424007000000      0.306057000000      2.310676000000
  H                                                -3.244624000000     -0.936082000000      1.379648000000
  H                                                -2.980608000000     -1.931165000000     -0.041430000000
  H                                                -3.406098000000      0.034214000000     -1.499523000000
  H                                                -4.163541000000      1.470389000000      1.088857000000
  H                                                -4.425556000000      2.090476000000     -0.542757000000
  H                                                -2.782177000000      1.864314000000      0.062741000000
  H                                                -5.646809000000     -0.595436000000      0.484188000000
  H                                                -5.235024000000     -1.556669000000     -0.938514000000
  H                                                -5.870883000000      0.080410000000     -1.129959000000
  H                                                 2.976513000000      1.139253000000      1.182625000000
  C                                                 2.933498000000      1.865447000000     -0.850054000000
  H                                                 4.436417000000     -1.871707000000      0.786177000000
  H                                                 2.278614000000      2.710285000000     -0.637065000000
  H                                                 2.713092000000      1.497500000000     -1.850637000000
  H                                                 3.967865000000      2.211791000000     -0.839432000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Sep 13 11:40:14 2021, MaxMem=  6442450944 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.646549   -0.738131   -0.801564
      2          6           0       -1.432592   -0.511522    0.329783
      3          6           0        0.680010   -0.338401   -0.847846
      4          6           0        1.266867    0.302071    0.243935
      5          6           0        0.492409    0.520436    1.377965
      6          6           0       -0.838534    0.122026    1.417910
      7          6           0       -2.882387   -0.913637    0.347539
      8          6           0       -3.797679    0.013396   -0.476375
      9          6           0       -3.787727    1.442814    0.061806
     10          6           0       -5.218015   -0.547768   -0.520760
     11          6           0        2.713060    0.767110    0.191830
     12          6           0        3.602939   -0.429270   -0.086386
     13          8           0        3.981236   -0.787282   -1.171710
     14          8           0        3.915201   -1.096316    1.047826
     15          1           0       -1.080077   -1.240686   -1.658424
     16          1           0        1.270566   -0.537518   -1.733203
     17          1           0        0.933056    1.005917    2.240389
     18          1           0       -1.424007    0.306057    2.310676
     19          1           0       -3.244624   -0.936082    1.379648
     20          1           0       -2.980608   -1.931165   -0.041430
     21          1           0       -3.406098    0.034214   -1.499523
     22          1           0       -4.163541    1.470389    1.088857
     23          1           0       -4.425556    2.090476   -0.542757
     24          1           0       -2.782177    1.864314    0.062741
     25          1           0       -5.646809   -0.595436    0.484188
     26          1           0       -5.235024   -1.556669   -0.938514
     27          1           0       -5.870883    0.080410   -1.129959
     28          1           0        2.976513    1.139253    1.182625
     29          6           0        2.933498    1.865447   -0.850054
     30          1           0        4.436417   -1.871707    0.786177
     31          1           0        2.278614    2.710285   -0.637065
     32          1           0        2.713092    1.497500   -1.850637
     33          1           0        3.967865    2.211791   -0.839432
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.396124   0.000000
     3  C    1.386248   2.424844   0.000000
     4  C    2.415833   2.820706   1.395203   0.000000
     5  C    2.762528   2.422654   2.393121   1.390501   0.000000
     6  C    2.388052   1.392231   2.766156   2.417302   1.389869
     7  C    2.519963   1.504632   3.801383   4.324926   3.808883
     8  C    3.255789   2.553246   4.506823   5.123652   4.701119
     9  C    3.920322   3.072117   4.894984   5.184919   4.571938
    10  C    4.584036   3.879970   5.910797   6.584883   6.111887
    11  C    3.813077   4.340549   2.537001   1.520017   2.529635
    12  C    4.320304   5.053369   3.021852   2.470062   3.566744
    13  O    4.642824   5.624950   3.347309   3.249391   4.514741
    14  O    4.935393   5.427381   3.825502   3.100871   3.799787
    15  H    1.083844   2.146838   2.137536   3.392229   3.846287
    16  H    2.140917   3.400537   1.082710   2.148022   3.377005
    17  H    3.845820   3.398430   3.377635   2.143049   1.083345
    18  H    3.373545   2.142999   3.849477   3.392969   2.142092
    19  H    3.398068   2.136803   4.552110   4.814189   4.010843
    20  H    2.729279   2.132965   4.072754   4.807267   4.481839
    21  H    2.949368   2.745708   4.154492   4.994797   4.869775
    22  H    4.562947   3.458648   5.521098   5.618558   4.760658
    23  H    4.727462   4.060733   5.662096   6.018385   5.508228
    24  H    3.475723   2.745412   4.203315   4.343753   3.776074
    25  H    5.164893   4.217879   6.470627   6.975827   6.303492
    26  H    4.662924   4.142390   6.039870   6.864961   6.517970
    27  H    5.298256   4.709528   6.570326   7.272152   6.853816
    28  H    4.537417   4.784622   3.402969   2.122475   2.567463
    29  C    4.426930   5.109280   3.152009   2.533499   3.568198
    30  H    5.444489   6.041826   4.373974   3.881415   4.650566
    31  H    4.524954   5.008781   3.448833   2.756681   3.470780
    32  H    4.169627   5.096773   2.917112   2.812090   4.038559
    33  H    5.476887   6.160230   4.160954   3.480820   4.456044
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.528958   0.000000
     8  C    3.515203   1.541423   0.000000
     9  C    3.504460   2.540501   1.527407   0.000000
    10  C    4.836002   2.518524   1.527819   2.519429   0.000000
    11  C    3.812247   5.844500   6.588194   6.537103   8.070851
    12  C    4.721601   6.517849   7.424095   7.625523   8.832437
    13  O    5.546454   7.030889   7.850866   8.176287   9.225363
    14  O    4.921312   6.836006   7.939973   8.170344   9.283157
    15  H    3.373301   2.716463   3.217969   4.182312   4.347062
    16  H    3.848742   4.660254   5.250736   5.721023   6.600894
    17  H    2.143890   4.671742   5.544886   5.217556   6.919072
    18  H    1.083364   2.732843   3.672550   3.454968   4.810462
    19  H    2.628750   1.094061   2.156896   2.773232   2.767058
    20  H    3.306622   1.093758   2.153625   3.470711   2.673861
    21  H    3.887353   2.141105   1.095719   2.137181   2.140029
    22  H    3.603058   2.806152   2.169478   1.093997   2.788501
    23  H    4.537151   3.492663   2.170921   1.091691   2.754779
    24  H    2.941054   2.794309   2.178942   1.090318   3.477344
    25  H    4.950363   2.786028   2.170861   2.790888   1.093644
    26  H    5.263067   2.757231   2.178219   3.477385   1.092103
    27  H    5.640736   3.478827   2.174819   2.759708   1.091773
    28  H    3.955337   6.264059   7.064666   6.863186   8.538024
    29  C    4.734068   6.556070   6.991314   6.795953   8.507597
    30  H    5.674431   7.394268   8.540959   8.896477   9.832037
    31  H    4.542975   6.382647   6.649840   6.236617   8.174832
    32  H    5.018902   6.477264   6.817720   6.776509   8.297840
    33  H    5.706503   7.622542   8.078888   7.845557   9.596724
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516777   0.000000
    13  O    2.425623   1.203831   0.000000
    14  O    2.377021   1.352366   2.241919   0.000000
    15  H    4.673604   5.006030   5.104836   5.683083   0.000000
    16  H    2.736530   2.857217   2.779458   3.878205   2.454702
    17  H    2.724342   3.821246   4.914202   3.838591   4.929571
    18  H    4.670910   5.617544   6.522197   5.662913   4.273694
    19  H    6.309182   7.021056   7.664504   7.169301   3.742717
    20  H    6.304994   6.752836   7.145157   7.031048   2.589102
    21  H    6.390767   7.165080   7.440095   7.833805   2.657253
    22  H    6.970430   8.081343   8.748979   8.476776   4.940165
    23  H    7.297311   8.426988   8.907930   9.069389   4.851142
    24  H    5.605190   6.786197   7.368757   7.388545   3.937077
    25  H    8.475224   9.268819   9.771287   9.591695   5.085487
    26  H    8.357611   8.950237   9.251259   9.374651   4.228676
    27  H    8.712219   9.544743   9.890343  10.094299   4.997639
    28  H    1.090675   2.112596   3.203732   2.428389   5.494688
    29  C    1.529856   2.509396   2.870224   3.652086   5.139096
    30  H    3.207267   1.880605   2.283963   0.970236   6.066792
    31  H    2.156789   3.451650   3.926543   4.472973   5.285277
    32  H    2.169134   2.759864   2.699881   4.071122   4.682173
    33  H    2.173739   2.770461   3.017454   3.808948   6.170256
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276159   0.000000
    18  H    4.932069   2.459774   0.000000
    19  H    5.498694   4.686709   2.392565   0.000000
    20  H    4.782973   5.399066   3.600079   1.754810   0.000000
    21  H    4.717274   5.810284   4.303510   3.042560   2.483907
    22  H    6.444007   5.245671   3.217694   2.592310   3.774579
    23  H    6.385086   6.134891   4.509493   3.774956   4.302650
    24  H    5.041720   4.391122   3.053850   3.128949   3.802090
    25  H    7.264314   6.995941   4.688369   2.586190   3.028048
    26  H    6.632714   7.397127   5.343298   3.117803   2.455076
    27  H    7.193471   7.649143   5.627041   3.772084   3.685786
    28  H    3.771455   2.304856   4.618581   6.561126   6.812714
    29  C    3.052791   3.780397   5.604441   7.140681   7.074234
    30  H    4.260276   4.761196   6.435163   7.760541   7.463292
    31  H    3.572940   3.604877   5.308379   6.918763   7.039691
    32  H    2.497192   4.488505   5.987625   7.200795   6.888192
    33  H    3.953852   4.488819   6.528958   8.176394   8.129094
                   21         22         23         24         25
    21  H    0.000000
    22  H    3.055492   0.000000
    23  H    2.486546   1.765028   0.000000
    24  H    2.485802   1.765292   1.765919   0.000000
    25  H    3.058162   2.614066   3.124132   3.799224   0.000000
    26  H    2.488094   3.797550   3.756798   4.326904   1.765677
    27  H    2.492765   3.125732   2.544433   3.760977   1.764213
    28  H    7.010902   7.148343   7.659791   5.911207   8.823754
    29  C    6.630664   7.367728   7.368904   5.788103   9.025398
    30  H    8.388206   9.231495   9.797935   8.160227  10.168162
    31  H    6.342014   6.783621   6.733421   5.178513   8.660100
    32  H    6.301506   7.478599   7.281653   5.830399   8.928591
    33  H    7.717052   8.389740   8.399539   6.818924  10.103190
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.766634   0.000000
    28  H    8.899245   9.205738   0.000000
    29  C    8.856831   8.987871   2.158933   0.000000
    30  H    9.829068  10.664088   3.369625   4.347682   0.000000
    31  H    8.645954   8.577499   2.503293   1.089949   5.260835
    32  H    8.563438   8.729957   3.065683   1.088637   4.612396
    33  H    9.945063  10.071155   2.494360   1.090863   4.420079
                   31         32         33
    31  H    0.000000
    32  H    1.769852   0.000000
    33  H    1.772856   1.762726   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.04D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.646549   -0.738131   -0.801564
      2          6           0       -1.432592   -0.511522    0.329783
      3          6           0        0.680010   -0.338401   -0.847846
      4          6           0        1.266867    0.302071    0.243935
      5          6           0        0.492409    0.520436    1.377965
      6          6           0       -0.838534    0.122026    1.417910
      7          6           0       -2.882387   -0.913637    0.347539
      8          6           0       -3.797679    0.013396   -0.476375
      9          6           0       -3.787727    1.442814    0.061806
     10          6           0       -5.218015   -0.547768   -0.520760
     11          6           0        2.713060    0.767110    0.191830
     12          6           0        3.602939   -0.429270   -0.086386
     13          8           0        3.981236   -0.787282   -1.171710
     14          8           0        3.915201   -1.096316    1.047826
     15          1           0       -1.080077   -1.240686   -1.658424
     16          1           0        1.270566   -0.537518   -1.733203
     17          1           0        0.933056    1.005917    2.240389
     18          1           0       -1.424007    0.306057    2.310676
     19          1           0       -3.244624   -0.936082    1.379648
     20          1           0       -2.980608   -1.931165   -0.041430
     21          1           0       -3.406098    0.034214   -1.499523
     22          1           0       -4.163541    1.470389    1.088857
     23          1           0       -4.425556    2.090476   -0.542757
     24          1           0       -2.782177    1.864314    0.062741
     25          1           0       -5.646809   -0.595436    0.484188
     26          1           0       -5.235024   -1.556669   -0.938514
     27          1           0       -5.870883    0.080410   -1.129959
     28          1           0        2.976513    1.139253    1.182625
     29          6           0        2.933498    1.865447   -0.850054
     30          1           0        4.436417   -1.871707    0.786177
     31          1           0        2.278614    2.710285   -0.637065
     32          1           0        2.713092    1.497500   -1.850637
     33          1           0        3.967865    2.211791   -0.839432
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.5483934           0.2444328           0.2419028
 Leave Link  202 at Mon Sep 13 11:40:15 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       970.5421025730 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Sep 13 11:40:17 2021, MaxMem=  6442450944 cpu:              17.8 elap:               2.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.12D-06  NBF=   507
 NBsUse=   506 1.00D-06 EigRej=  1.00D-06 NBFU=   506
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Mon Sep 13 11:40:19 2021, MaxMem=  6442450944 cpu:              11.9 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep 13 11:40:20 2021, MaxMem=  6442450944 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer01_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 GSVD:  received Info=                   1 from GESDD.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Sep 13 11:40:22 2021, MaxMem=  6442450944 cpu:              11.9 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.373784679268    
 DIIS: error= 2.10D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.373784679268     IErMin= 1 ErrMin= 2.10D-03
 ErrMax= 2.10D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.71D-02 BMatP= 1.71D-02
 IDIUse=3 WtCom= 9.79D-01 WtEn= 2.10D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.383 Goal=   None    Shift=    0.000
 GapD=    0.383 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.56D-02 MaxDP=7.67D-01              OVMax= 1.87D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.44D-02    CP:  1.05D+00
 E= -656.391396198206     Delta-E=       -0.017611518939 Rises=F Damp=F
 DIIS: error= 5.04D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.391396198206     IErMin= 2 ErrMin= 5.04D-04
 ErrMax= 5.04D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.46D-04 BMatP= 1.71D-02
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.04D-03
 Coeff-Com: -0.277D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.276D-01 0.103D+01
 Gap=     0.323 Goal=   None    Shift=    0.000
 RMSDP=4.92D-03 MaxDP=6.05D-01 DE=-1.76D-02 OVMax= 6.91D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.58D-03    CP:  1.09D+00  1.13D+00
 E= -656.391810188371     Delta-E=       -0.000413990165 Rises=F Damp=F
 DIIS: error= 5.36D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -656.391810188371     IErMin= 2 ErrMin= 5.04D-04
 ErrMax= 5.36D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.07D-04 BMatP= 4.46D-04
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.36D-03
 Coeff-Com: -0.385D-01 0.468D+00 0.570D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.383D-01 0.466D+00 0.572D+00
 Gap=     0.323 Goal=   None    Shift=    0.000
 RMSDP=2.92D-04 MaxDP=1.29D-02 DE=-4.14D-04 OVMax= 3.29D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.65D-04    CP:  1.09D+00  1.13D+00  1.07D+00
 E= -656.392006929904     Delta-E=       -0.000196741533 Rises=F Damp=F
 DIIS: error= 1.18D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.392006929904     IErMin= 4 ErrMin= 1.18D-04
 ErrMax= 1.18D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.63D-05 BMatP= 3.07D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.18D-03
 Coeff-Com: -0.727D-02-0.104D-02 0.162D+00 0.846D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.726D-02-0.103D-02 0.162D+00 0.846D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=2.95D-04 MaxDP=2.77D-02 DE=-1.97D-04 OVMax= 1.07D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.03D-04    CP:  1.08D+00  1.13D+00  1.12D+00  1.57D+00
 E= -656.392021102373     Delta-E=       -0.000014172469 Rises=F Damp=F
 DIIS: error= 7.64D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.392021102373     IErMin= 5 ErrMin= 7.64D-05
 ErrMax= 7.64D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.76D-06 BMatP= 1.63D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.244D-03-0.419D-01 0.164D-01 0.396D+00 0.629D+00
 Coeff:      0.244D-03-0.419D-01 0.164D-01 0.396D+00 0.629D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=7.41D-05 MaxDP=7.99D-03 DE=-1.42D-05 OVMax= 5.68D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.14D-05    CP:  1.08D+00  1.13D+00  1.12D+00  1.69D+00  1.13D+00
 E= -656.392024106951     Delta-E=       -0.000003004578 Rises=F Damp=F
 DIIS: error= 1.63D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.392024106951     IErMin= 6 ErrMin= 1.63D-05
 ErrMax= 1.63D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.33D-07 BMatP= 3.76D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.108D-02-0.168D-01-0.179D-01 0.467D-01 0.255D+00 0.732D+00
 Coeff:      0.108D-02-0.168D-01-0.179D-01 0.467D-01 0.255D+00 0.732D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=3.25D-05 MaxDP=4.03D-03 DE=-3.00D-06 OVMax= 1.43D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  8.38D-06    CP:  1.08D+00  1.13D+00  1.12D+00  1.73D+00  1.18D+00
                    CP:  1.38D+00
 E= -656.392024395144     Delta-E=       -0.000000288193 Rises=F Damp=F
 DIIS: error= 3.57D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.392024395144     IErMin= 7 ErrMin= 3.57D-06
 ErrMax= 3.57D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.89D-08 BMatP= 3.33D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.283D-03-0.987D-03-0.683D-02-0.224D-01 0.216D-01 0.213D+00
 Coeff-Com:  0.796D+00
 Coeff:      0.283D-03-0.987D-03-0.683D-02-0.224D-01 0.216D-01 0.213D+00
 Coeff:      0.796D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=1.21D-05 MaxDP=1.52D-03 DE=-2.88D-07 OVMax= 4.08D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.80D-06    CP:  1.08D+00  1.13D+00  1.12D+00  1.73D+00  1.20D+00
                    CP:  1.47D+00  1.26D+00
 E= -656.392024419884     Delta-E=       -0.000000024740 Rises=F Damp=F
 DIIS: error= 1.14D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.392024419884     IErMin= 8 ErrMin= 1.14D-06
 ErrMax= 1.14D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.59D-09 BMatP= 1.89D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.485D-04 0.148D-02 0.312D-03-0.960D-02-0.206D-01-0.386D-01
 Coeff-Com:  0.161D+00 0.906D+00
 Coeff:     -0.485D-04 0.148D-02 0.312D-03-0.960D-02-0.206D-01-0.386D-01
 Coeff:      0.161D+00 0.906D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=3.58D-06 MaxDP=5.25D-04 DE=-2.47D-08 OVMax= 1.82D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.28D-06    CP:  1.08D+00  1.13D+00  1.12D+00  1.74D+00  1.20D+00
                    CP:  1.50D+00  1.28D+00  1.06D+00
 E= -656.392024422239     Delta-E=       -0.000000002355 Rises=F Damp=F
 DIIS: error= 3.09D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.392024422239     IErMin= 9 ErrMin= 3.09D-07
 ErrMax= 3.09D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.22D-10 BMatP= 1.59D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.357D-04 0.610D-03 0.618D-03-0.196D-02-0.864D-02-0.300D-01
 Coeff-Com: -0.594D-05 0.321D+00 0.719D+00
 Coeff:     -0.357D-04 0.610D-03 0.618D-03-0.196D-02-0.864D-02-0.300D-01
 Coeff:     -0.594D-05 0.321D+00 0.719D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=5.98D-07 MaxDP=6.99D-05 DE=-2.36D-09 OVMax= 5.69D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.67D-07    CP:  1.08D+00  1.13D+00  1.12D+00  1.74D+00  1.20D+00
                    CP:  1.50D+00  1.29D+00  1.11D+00  1.01D+00
 E= -656.392024422545     Delta-E=       -0.000000000306 Rises=F Damp=F
 DIIS: error= 1.21D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.392024422545     IErMin=10 ErrMin= 1.21D-07
 ErrMax= 1.21D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.95D-11 BMatP= 2.22D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.463D-05-0.217D-04 0.177D-03 0.776D-03 0.471D-03-0.467D-02
 Coeff-Com: -0.240D-01-0.299D-01 0.243D+00 0.814D+00
 Coeff:     -0.463D-05-0.217D-04 0.177D-03 0.776D-03 0.471D-03-0.467D-02
 Coeff:     -0.240D-01-0.299D-01 0.243D+00 0.814D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=5.13D-07 MaxDP=6.67D-05 DE=-3.06D-10 OVMax= 2.79D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.84D-07    CP:  1.08D+00  1.13D+00  1.12D+00  1.74D+00  1.20D+00
                    CP:  1.50D+00  1.29D+00  1.12D+00  1.05D+00  1.10D+00
 E= -656.392024422646     Delta-E=       -0.000000000100 Rises=F Damp=F
 DIIS: error= 3.74D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -656.392024422646     IErMin=11 ErrMin= 3.74D-08
 ErrMax= 3.74D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.09D-12 BMatP= 2.95D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.170D-05-0.653D-04 0.181D-05 0.404D-03 0.106D-02 0.116D-02
 Coeff-Com: -0.678D-02-0.401D-01 0.261D-02 0.250D+00 0.791D+00
 Coeff:      0.170D-05-0.653D-04 0.181D-05 0.404D-03 0.106D-02 0.116D-02
 Coeff:     -0.678D-02-0.401D-01 0.261D-02 0.250D+00 0.791D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=1.08D-07 MaxDP=1.49D-05 DE=-1.00D-10 OVMax= 7.35D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  4.60D-08    CP:  1.08D+00  1.13D+00  1.12D+00  1.74D+00  1.20D+00
                    CP:  1.50D+00  1.28D+00  1.12D+00  1.06D+00  1.20D+00
                    CP:  1.12D+00
 E= -656.392024422623     Delta-E=        0.000000000022 Rises=F Damp=F
 DIIS: error= 1.13D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -656.392024422646     IErMin=12 ErrMin= 1.13D-08
 ErrMax= 1.13D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.49D-13 BMatP= 3.09D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.103D-05-0.113D-04-0.218D-04-0.206D-04 0.235D-03 0.810D-03
 Coeff-Com:  0.191D-02-0.543D-02-0.326D-01-0.535D-01 0.174D+00 0.915D+00
 Coeff:      0.103D-05-0.113D-04-0.218D-04-0.206D-04 0.235D-03 0.810D-03
 Coeff:      0.191D-02-0.543D-02-0.326D-01-0.535D-01 0.174D+00 0.915D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=4.07D-08 MaxDP=6.44D-06 DE= 2.23D-11 OVMax= 3.82D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.06D-08    CP:  1.08D+00  1.13D+00  1.12D+00  1.74D+00  1.20D+00
                    CP:  1.50D+00  1.28D+00  1.12D+00  1.05D+00  1.21D+00
                    CP:  1.24D+00  1.13D+00
 E= -656.392024422492     Delta-E=        0.000000000131 Rises=F Damp=F
 DIIS: error= 4.03D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -656.392024422646     IErMin=13 ErrMin= 4.03D-09
 ErrMax= 4.03D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.69D-14 BMatP= 3.49D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.345D-07 0.569D-05-0.360D-05-0.528D-04-0.654D-04-0.164D-04
 Coeff-Com:  0.113D-02 0.361D-02-0.596D-02-0.386D-01-0.650D-01 0.163D+00
 Coeff-Com:  0.942D+00
 Coeff:     -0.345D-07 0.569D-05-0.360D-05-0.528D-04-0.654D-04-0.164D-04
 Coeff:      0.113D-02 0.361D-02-0.596D-02-0.386D-01-0.650D-01 0.163D+00
 Coeff:      0.942D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=1.42D-08 MaxDP=1.13D-06 DE= 1.31D-10 OVMax= 1.75D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  7.63D-09    CP:  1.08D+00  1.13D+00  1.12D+00  1.74D+00  1.20D+00
                    CP:  1.50D+00  1.28D+00  1.12D+00  1.05D+00  1.21D+00
                    CP:  1.28D+00  1.20D+00  1.31D+00
 E= -656.392024422584     Delta-E=       -0.000000000092 Rises=F Damp=F
 DIIS: error= 1.77D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=11 EnMin= -656.392024422646     IErMin=14 ErrMin= 1.77D-09
 ErrMax= 1.77D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.32D-15 BMatP= 3.69D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.150D-06 0.347D-05 0.143D-05-0.180D-04-0.509D-04-0.107D-03
 Coeff-Com:  0.178D-03 0.196D-02 0.178D-02-0.730D-02-0.442D-01-0.506D-01
 Coeff-Com:  0.341D+00 0.758D+00
 Coeff:     -0.150D-06 0.347D-05 0.143D-05-0.180D-04-0.509D-04-0.107D-03
 Coeff:      0.178D-03 0.196D-02 0.178D-02-0.730D-02-0.442D-01-0.506D-01
 Coeff:      0.341D+00 0.758D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=5.44D-09 MaxDP=8.57D-07 DE=-9.21D-11 OVMax= 7.59D-08

 SCF Done:  E(RM11) =  -656.392024423     A.U. after   14 cycles
            NFock= 14  Conv=0.54D-08     -V/T= 2.0066
 KE= 6.520926647192D+02 PE=-3.467433270319D+03 EE= 1.188406478604D+03
 Leave Link  502 at Mon Sep 13 12:12:05 2021, MaxMem=  6442450944 cpu:           15180.3 elap:            1903.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   506
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    506 NOA=    56 NOB=    56 NVA=   450 NVB=   450

 **** Warning!!: The largest alpha MO coefficient is  0.97409034D+02

 Leave Link  801 at Mon Sep 13 12:12:06 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10255 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.20D-13 8.33D-09 XBig12= 1.00D+00 2.30D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.20D-13 8.33D-09 XBig12= 1.81D-01 4.46D-02.
     11 vectors produced by pass  2 Test12= 4.20D-13 8.33D-09 XBig12= 3.81D-02 5.08D-02.
     11 vectors produced by pass  3 Test12= 4.20D-13 8.33D-09 XBig12= 4.65D-03 1.19D-02.
     11 vectors produced by pass  4 Test12= 4.20D-13 8.33D-09 XBig12= 5.37D-04 3.25D-03.
     11 vectors produced by pass  5 Test12= 4.20D-13 8.33D-09 XBig12= 7.06D-05 7.94D-04.
     11 vectors produced by pass  6 Test12= 4.20D-13 8.33D-09 XBig12= 5.11D-06 1.86D-04.
     11 vectors produced by pass  7 Test12= 4.20D-13 8.33D-09 XBig12= 2.76D-07 6.17D-05.
     11 vectors produced by pass  8 Test12= 4.20D-13 8.33D-09 XBig12= 1.08D-08 1.48D-05.
     11 vectors produced by pass  9 Test12= 4.20D-13 8.33D-09 XBig12= 3.61D-10 1.89D-06.
      9 vectors produced by pass 10 Test12= 4.20D-13 8.33D-09 XBig12= 9.95D-12 2.86D-07.
      8 vectors produced by pass 11 Test12= 4.20D-13 8.33D-09 XBig12= 3.74D-13 7.45D-08.
      1 vectors produced by pass 12 Test12= 4.20D-13 8.33D-09 XBig12= 2.71D-14 1.61D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   128 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.220720D+03
      2  0.915228D+01  0.139373D+03
      3 -0.424760D+01  0.710839D+01  0.152418D+03
 Isotropic polarizability for W=    0.088559      170.84 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.272777D+03 -0.698347D+02 -0.500652D+02
      2   0.145584D+03  0.672085D+02  0.183959D+01
      3   0.127193D+03  0.262617D+01  0.482256D+02
      4  -0.699478D+00 -0.110268D+03 -0.255621D+02
      5  -0.460304D+02 -0.233077D+02 -0.847513D+02
      6  -0.495615D+01 -0.232412D+02  0.202988D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.599265D+01 -0.164309D+01 -0.699494D+01
      2  -0.405135D+02 -0.146415D+02 -0.404960D+02
      3   0.266265D+02  0.592815D+02  0.783346D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.225437D+01 -0.250808D+02 -0.176726D+02
      2  -0.403476D+01 -0.206059D+02 -0.211944D+03
      3   0.691352D+02  0.255852D+03  0.183515D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.284044D+01  0.689971D+01  0.152493D+01
      2   0.689971D+01  0.176157D+01  0.792033D+00
      3   0.152493D+01  0.792033D+00  0.263453D+00
 OR G Eigenvalues:    -7.8877    -0.0088     7.0811  Iso=     0.2718
 Eigenvectors:
   (1)   0.813377  -0.573690  -0.096423
   (2)  -0.051002  -0.235436   0.970551
   (3)   0.579497   0.784506   0.220757
 w=    0.088559 a.u., Optical Rotation Beta=      0.2718 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =       66.81 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 5.95D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.49D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.00D-14 2.78D-09 XBig12= 1.00D+00 3.03D-01.
     30 vectors produced by pass  1 Test12= 7.00D-14 2.78D-09 XBig12= 3.14D-02 1.96D-02.
     30 vectors produced by pass  2 Test12= 7.00D-14 2.78D-09 XBig12= 2.22D-03 5.80D-03.
     30 vectors produced by pass  3 Test12= 7.00D-14 2.78D-09 XBig12= 6.71D-05 1.14D-03.
     30 vectors produced by pass  4 Test12= 7.00D-14 2.78D-09 XBig12= 2.42D-06 1.76D-04.
     30 vectors produced by pass  5 Test12= 7.00D-14 2.78D-09 XBig12= 4.34D-08 1.50D-05.
     30 vectors produced by pass  6 Test12= 7.00D-14 2.78D-09 XBig12= 5.54D-10 1.40D-06.
     30 vectors produced by pass  7 Test12= 7.00D-14 2.78D-09 XBig12= 7.09D-12 1.74D-07.
     30 vectors produced by pass  8 Test12= 7.00D-14 2.78D-09 XBig12= 1.09D-13 2.43D-08.
      8 vectors produced by pass  9 Test12= 7.00D-14 2.78D-09 XBig12= 6.04D-15 6.19D-09.
      3 vectors produced by pass 10 Test12= 7.00D-14 2.78D-09 XBig12= 4.45D-15 3.73D-09.
      3 vectors produced by pass 11 Test12= 7.00D-14 2.78D-09 XBig12= 4.94D-15 5.24D-09.
      3 vectors produced by pass 12 Test12= 7.00D-14 2.78D-09 XBig12= 1.87D-14 1.31D-08.
      1 vectors produced by pass 13 Test12= 7.00D-14 2.78D-09 XBig12= 1.31D-14 6.80D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.89D-15
 Solved reduced A of dimension   288 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.79D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.79D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.50D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.220720D+03  0.915228D+01 -0.424760D+01
      2   0.915228D+01  0.139373D+03  0.710839D+01
      3  -0.424760D+01  0.710839D+01  0.152418D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.599265D+01 -0.164309D+01 -0.699494D+01
      2  -0.405135D+02 -0.146415D+02 -0.404960D+02
      3   0.266265D+02  0.592815D+02  0.783346D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.272777D+03 -0.698347D+02 -0.500652D+02
      2   0.145584D+03  0.672085D+02  0.183959D+01
      3   0.127193D+03  0.262617D+01  0.482256D+02
      4  -0.699478D+00 -0.110268D+03 -0.255621D+02
      5  -0.460304D+02 -0.233077D+02 -0.847513D+02
      6  -0.495615D+01 -0.232412D+02  0.202988D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.867093D+01  0.220327D+01 -0.540973D+00 -0.298891D+00 -0.113563D+00
      2   0.220327D+01 -0.206939D+00  0.419350D+00 -0.113563D+00 -0.372808D+01
      3  -0.540973D+00  0.419350D+00 -0.166347D+01  0.151534D+01 -0.145160D+01
                 6             7             8             9            10 
      1   0.151534D+01 -0.110435D+02 -0.853232D+00  0.205708D+00 -0.283119D+02
      2  -0.145160D+01 -0.853232D+00 -0.162591D+00  0.124919D+01 -0.300306D+01
      3   0.885234D+00  0.205708D+00  0.124919D+01 -0.162293D+01 -0.381487D+00
                11            12            13            14            15 
      1  -0.300306D+01 -0.381487D+00 -0.607794D+01 -0.475322D+01  0.127310D+01
      2  -0.201931D+01 -0.578335D+00 -0.475322D+01 -0.285021D+01  0.351484D+00
      3  -0.578335D+00 -0.275057D+01  0.127310D+01  0.351484D+00 -0.655521D+00
                16            17            18            19            20 
      1  -0.776753D+00  0.149343D+01 -0.107130D+01 -0.693554D+01 -0.238523D+01
      2   0.149343D+01  0.612977D+00 -0.425880D-01 -0.238523D+01  0.211308D+01
      3  -0.107130D+01 -0.425880D-01  0.163379D+01  0.263385D+00  0.130170D+01
                21            22            23            24            25 
      1   0.263385D+00 -0.713448D+01  0.183152D+00  0.453397D+00 -0.999826D+01
      2   0.130170D+01  0.183152D+00 -0.131041D+01 -0.165367D+01 -0.249443D+01
      3   0.118228D+01  0.453397D+00 -0.165367D+01  0.190033D+01  0.179875D+00
                26            27            28            29            30 
      1  -0.249443D+01  0.179875D+00  0.245453D+02  0.392551D+01 -0.114434D+01
      2  -0.129506D+01  0.126000D+01  0.392551D+01  0.253769D+01  0.595169D-01
      3   0.126000D+01 -0.230647D+01 -0.114434D+01  0.595169D-01  0.251153D+01
                31            32            33            34            35 
      1   0.327974D+01  0.516276D+01 -0.129707D+01 -0.716305D+00 -0.962835D+00
      2   0.516276D+01  0.205402D+01 -0.676887D+00 -0.962835D+00 -0.161406D+01
      3  -0.129707D+01 -0.676887D+00  0.166935D+01  0.995879D+00  0.216558D+00
                36            37            38            39            40 
      1   0.995879D+00 -0.105272D+02 -0.262944D+01  0.111570D+01 -0.233250D+00
      2   0.216558D+00 -0.262944D+01  0.353280D-01 -0.556388D+00  0.734117D+00
      3   0.954724D+00  0.111570D+01 -0.556388D+00  0.344902D+01 -0.167749D+01
                41            42            43            44            45 
      1   0.734117D+00 -0.167749D+01  0.120582D+02  0.713939D+00 -0.125682D+01
      2   0.382224D+01  0.189260D+01  0.713939D+00  0.837908D+00 -0.140364D+01
      3   0.189260D+01 -0.939699D+00 -0.125682D+01 -0.140364D+01  0.120474D+01
                46            47            48            49            50 
      1   0.867187D+01  0.239581D+01 -0.651600D+00  0.949611D+01 -0.648103D+00
      2   0.239581D+01 -0.185869D+01 -0.123300D+01 -0.648103D+00  0.103650D+01
      3  -0.651600D+00 -0.123300D+01 -0.229854D+01 -0.290058D+00  0.204165D+01
                51            52            53            54            55 
      1  -0.290058D+00  0.961333D+01  0.220761D+01  0.104352D+01  0.156885D+02
      2   0.204165D+01  0.220761D+01  0.139085D+01 -0.130667D+01 -0.671006D+00
      3  -0.326332D+01  0.104352D+01 -0.130667D+01  0.142151D+01  0.121642D+01
                56            57            58            59            60 
      1  -0.671006D+00  0.121642D+01 -0.465285D+01  0.438730D+01 -0.131744D+01
      2   0.148194D+01 -0.658162D+00  0.438730D+01  0.591936D+01  0.180432D+01
      3  -0.658162D+00  0.210872D+01 -0.131744D+01  0.180432D+01 -0.290988D-01
                61            62            63            64            65 
      1   0.738918D+01 -0.967239D+00  0.416681D+01 -0.271011D+01  0.450644D+01
      2  -0.967239D+00  0.293385D+01  0.985173D+00  0.450644D+01 -0.762381D+00
      3   0.416681D+01  0.985173D+00 -0.450315D+01  0.146009D+00  0.135256D+01
                66            67            68            69            70 
      1   0.146009D+00  0.121816D+02 -0.172822D+01  0.234910D+01 -0.581096D+01
      2   0.135256D+01 -0.172822D+01 -0.455691D+01 -0.201422D+01  0.134451D+01
      3  -0.330835D+01  0.234910D+01 -0.201422D+01  0.402088D+00 -0.516757D+01
                71            72            73            74            75 
      1   0.134451D+01 -0.516757D+01 -0.344779D+01 -0.487895D+01  0.738645D+00
      2  -0.291575D+01  0.126843D+00 -0.487895D+01  0.107381D+01 -0.136734D+01
      3   0.126843D+00  0.612249D+01  0.738645D+00 -0.136734D+01  0.298850D+01
                76            77            78            79            80 
      1  -0.579037D+01  0.122210D+01 -0.174944D+01  0.161484D+01 -0.172001D+01
      2   0.122210D+01  0.196465D+01  0.261002D+01 -0.172001D+01  0.365009D+01
      3  -0.174944D+01  0.261002D+01 -0.102509D+01  0.408141D+01 -0.175025D+01
                81            82            83            84            85 
      1   0.408141D+01 -0.255833D+01 -0.413448D+01  0.238589D-01 -0.640719D+01
      2  -0.175025D+01 -0.413448D+01  0.596950D+00 -0.174080D+01  0.224716D+01
      3  -0.440853D+01  0.238589D-01 -0.174080D+01  0.354083D+01 -0.219332D+01
                86            87            88            89            90 
      1   0.224716D+01 -0.219332D+01  0.133671D+01 -0.179996D+01  0.530951D+01
      2   0.500334D+01  0.350906D+01 -0.179996D+01  0.343938D+01  0.301724D+00
      3   0.350906D+01 -0.245949D+00  0.530951D+01  0.301724D+00 -0.318580D+01
                91            92            93            94            95 
      1  -0.298942D+01  0.458418D+00 -0.723693D+00  0.353372D+01 -0.570215D+01
      2   0.458418D+00 -0.250549D+01  0.404478D+00 -0.570215D+01 -0.613941D+00
      3  -0.723693D+00  0.404478D+00 -0.135864D+01  0.105702D+01  0.126659D+01
                96            97            98            99           100 
      1   0.105702D+01  0.237426D+01  0.153438D+01 -0.235533D+01 -0.132746D+01
      2   0.126659D+01  0.153438D+01  0.305892D+01 -0.337842D+01 -0.348756D+00
      3  -0.275940D+01 -0.235533D+01 -0.337842D+01 -0.307063D+01  0.189682D+01
               101           102           103           104           105 
      1  -0.348756D+00  0.189682D+01 -0.846960D+00  0.187377D+01 -0.581619D+00
      2   0.159655D+01 -0.186158D-01  0.187377D+01 -0.238354D+01 -0.143599D+00
      3  -0.186158D-01 -0.739093D+00 -0.581619D+00 -0.143599D+00  0.152004D+01
               106           107           108           109           110 
      1   0.326408D+01 -0.129662D+01 -0.195489D+01  0.443376D+01 -0.113623D+01
      2  -0.129662D+01  0.310147D+00  0.222763D+01 -0.113623D+01  0.414159D+00
      3  -0.195489D+01  0.222763D+01  0.335681D+01 -0.368885D+01  0.290062D+00
               111           112           113           114           115 
      1  -0.368885D+01 -0.244306D+01  0.153275D+01  0.876879D+00 -0.803128D+01
      2   0.290062D+00  0.153275D+01 -0.140978D+01 -0.216959D+01  0.156911D+01
      3   0.219470D+01  0.876879D+00 -0.216959D+01 -0.174950D+01  0.386334D+01
               116           117           118           119           120 
      1   0.156911D+01  0.386334D+01 -0.786302D+00  0.150045D+01  0.143159D+01
      2  -0.283094D+01 -0.144500D+01  0.150045D+01 -0.278034D+01  0.188761D+00
      3  -0.144500D+01 -0.851313D+01  0.143159D+01  0.188761D+00  0.362933D-01
               121           122           123           124           125 
      1   0.216738D+01 -0.267551D+01  0.226267D+00  0.434484D+01 -0.128496D+01
      2  -0.267551D+01  0.296866D+01  0.110950D+01 -0.128496D+01  0.219524D+01
      3   0.226267D+00  0.110950D+01 -0.680869D-01  0.176336D+01 -0.193440D+01
               126           127           128           129           130 
      1   0.176336D+01 -0.206960D+01 -0.117422D+01 -0.170316D+01 -0.161531D+01
      2  -0.193440D+01 -0.117422D+01 -0.102704D+01 -0.108372D+01 -0.916346D+00
      3   0.441611D+01 -0.170316D+01 -0.108372D+01 -0.148188D+01 -0.153100D+01
               131           132           133           134           135 
      1  -0.916346D+00 -0.153100D+01 -0.195700D+01 -0.121872D+01 -0.213216D+01
      2  -0.152709D+01 -0.169783D+01 -0.121872D+01 -0.232672D+01 -0.281253D+01
      3  -0.169783D+01 -0.270754D+01 -0.213216D+01 -0.281253D+01 -0.545806D+01
               136           137           138           139           140 
      1   0.383674D+01 -0.325168D+00 -0.215548D+01 -0.615532D+00  0.188359D+00
      2  -0.325168D+00  0.469019D+00  0.221934D+00  0.188359D+00 -0.533556D+00
      3  -0.215548D+01  0.221934D+00  0.207601D+01  0.630490D+00 -0.504016D+00
               141           142           143           144           145 
      1   0.630490D+00 -0.269345D+01  0.704359D+00  0.285692D+01  0.215677D+01
      2  -0.504016D+00  0.704359D+00 -0.102977D+01 -0.117623D+01  0.129575D+01
      3  -0.160924D+01  0.285692D+01 -0.117623D+01 -0.513232D+01  0.185133D+01
               146           147           148           149           150 
      1   0.129575D+01  0.185133D+01  0.127235D+01  0.798466D+00  0.151004D+01
      2   0.100960D+01  0.113724D+01  0.798466D+00  0.114923D+01  0.154745D+01
      3   0.113724D+01  0.190360D+01  0.151004D+01  0.154745D+01  0.296361D+01
               151           152           153           154           155 
      1   0.184786D+01  0.120101D+01  0.233803D+01 -0.317337D+01  0.284435D+00
      2   0.120101D+01  0.214476D+01  0.277987D+01  0.284435D+00 -0.323330D+00
      3   0.233803D+01  0.277987D+01  0.638525D+01  0.259892D+01 -0.210259D+00
               156           157           158           159           160 
      1   0.259892D+01  0.123215D+00 -0.216125D+00 -0.494516D+00  0.310831D+01
      2  -0.210259D+00 -0.216125D+00  0.313839D+00  0.496435D+00 -0.764654D+00
      3  -0.300501D+01 -0.494516D+00  0.496435D+00  0.170911D+01 -0.334171D+01
               161           162           163           164           165 
      1  -0.764654D+00 -0.334171D+01 -0.215093D+01 -0.954670D-01  0.174726D+01
      2   0.960720D+00  0.114308D+01 -0.954670D-01 -0.658149D+00  0.610485D+00
      3   0.114308D+01  0.666235D+01  0.174726D+01  0.610485D+00 -0.169968D+01
               166           167           168           169           170 
      1   0.164447D+01 -0.729458D+00  0.276983D+00  0.369061D+01  0.780601D+00
      2  -0.729458D+00 -0.993365D+00  0.787357D+00  0.780601D+00  0.119940D+01
      3   0.276983D+00  0.787357D+00 -0.177506D+00 -0.225110D+01 -0.150564D+01
               171           172           173           174           175 
      1  -0.225110D+01 -0.172619D+01 -0.139493D+01 -0.651497D+00 -0.322097D+01
      2  -0.150564D+01 -0.139493D+01 -0.934462D+00  0.111766D-01 -0.272616D+01
      3   0.584534D+01 -0.651497D+00  0.111766D-01 -0.279411D+00 -0.306099D+00
               176           177           178           179           180 
      1  -0.272616D+01 -0.306099D+00 -0.423772D+01 -0.846408D+00 -0.116051D+01
      2  -0.866171D+01 -0.103222D+01 -0.846408D+00 -0.237540D+01 -0.133438D+01
      3  -0.103222D+01 -0.827608D+00 -0.116051D+01 -0.133438D+01 -0.436552D+00
               181           182           183           184           185 
      1   0.178102D+01 -0.718003D+00 -0.143366D+01 -0.141789D+01  0.279239D+00
      2  -0.718003D+00  0.447563D+00 -0.255315D+00  0.279239D+00  0.559748D+00
      3  -0.143366D+01 -0.255315D+00  0.138238D+01 -0.196503D+00 -0.736660D+00
               186           187           188           189           190 
      1  -0.196503D+00 -0.229656D+01 -0.218007D+00  0.114535D+01 -0.140474D+01
      2  -0.736660D+00 -0.218007D+00 -0.975375D+00  0.218882D-01  0.100713D+01
      3   0.145641D+00  0.114535D+01  0.218882D-01 -0.697980D+01  0.146400D+01
               191           192           193           194           195 
      1   0.100713D+01  0.146400D+01  0.519719D+00 -0.588610D+00  0.294235D-02
      2  -0.914728D+00 -0.300682D+00 -0.588610D+00  0.460838D+00  0.705913D+00
      3  -0.300682D+00 -0.191319D+01  0.294235D-02  0.705913D+00  0.332505D+00
               196           197           198           199           200 
      1   0.240199D+01 -0.608809D+00 -0.231811D+01 -0.415648D+01  0.330331D+01
      2  -0.608809D+00  0.166493D+01  0.155140D+01  0.330331D+01 -0.298400D+01
      3  -0.231811D+01  0.155140D+01  0.624250D+01 -0.155706D+01  0.106192D+01
               201           202           203           204           205 
      1  -0.155706D+01  0.298989D+01 -0.311432D+01  0.123490D+01 -0.277877D+01
      2   0.106192D+01 -0.311432D+01  0.462198D+01 -0.191607D+01  0.195267D+01
      3  -0.146399D+01  0.123490D+01 -0.191607D+01  0.133176D+01 -0.209610D+01
               206           207           208           209           210 
      1   0.195267D+01 -0.209610D+01  0.817408D+01  0.173536D+01  0.216080D+00
      2  -0.307518D+01  0.193215D+01  0.173536D+01  0.262178D+01  0.147024D+00
      3   0.193215D+01 -0.180095D+01  0.216080D+00  0.147024D+00  0.455505D+00
               211           212           213           214           215 
      1   0.123652D+01  0.178863D+01  0.112700D+00  0.347317D+00  0.525371D-01
      2   0.178863D+01  0.203851D+01 -0.154972D+00  0.525371D-01 -0.402135D+00
      3   0.112700D+00 -0.154972D+00  0.556363D+00  0.190094D+00  0.706302D+00
               216           217           218           219           220 
      1   0.190094D+00 -0.324781D+01 -0.106657D+00  0.188521D+01  0.391404D+00
      2   0.706302D+00 -0.106657D+00 -0.613397D+00  0.405670D+00 -0.105008D+01
      3   0.391119D+00  0.188521D+01  0.405670D+00 -0.196059D+01  0.333972D+00
               221           222           223           224           225 
      1  -0.105008D+01  0.333972D+00  0.449530D+01  0.928744D+00 -0.334120D+01
      2  -0.839996D+00  0.497773D+00  0.928744D+00  0.109557D+01 -0.642947D+00
      3   0.497773D+00 -0.177930D+00 -0.334120D+01 -0.642947D+00  0.536720D+01
               226           227           228           229           230 
      1  -0.278059D+00 -0.929426D+00 -0.463855D+00 -0.244695D+01 -0.256861D+01
      2  -0.929426D+00 -0.485172D+00 -0.716939D-01 -0.256861D+01 -0.791739D+01
      3  -0.463855D+00 -0.716939D-01 -0.432570D+00 -0.727495D+00 -0.253308D+01
               231           232           233           234           235 
      1  -0.727495D+00 -0.125778D+01 -0.652052D+00 -0.135157D+01 -0.665027D+01
      2  -0.253308D+01 -0.652052D+00 -0.258789D+01 -0.178377D+01  0.197965D+01
      3  -0.180419D+01 -0.135157D+01 -0.178377D+01 -0.141724D+01 -0.265384D+01
               236           237           238           239           240 
      1   0.197965D+01 -0.265384D+01  0.501824D+01 -0.215564D+01  0.181455D+01
      2  -0.126214D+01  0.904015D+00 -0.215564D+01  0.169610D+01 -0.152171D+01
      3   0.904015D+00 -0.206677D+01  0.181455D+01 -0.152171D+01  0.157488D+01
               241           242           243           244           245 
      1  -0.445460D+01  0.108426D+01 -0.337980D+01 -0.234105D-01  0.309126D+00
      2   0.108426D+01 -0.158670D+01  0.100276D+01  0.309126D+00  0.716868D+00
      3  -0.337980D+01  0.100276D+01 -0.261959D+01  0.176473D+01  0.389219D+00
               246           247           248           249           250 
      1   0.176473D+01  0.483918D+00  0.133295D+01  0.540340D+00  0.295440D+01
      2   0.389219D+00  0.133295D+01  0.174826D+01  0.122818D+01  0.706345D+00
      3   0.109342D+01  0.540340D+00  0.122818D+01  0.177435D+01  0.175887D+01
               251           252           253           254           255 
      1   0.706345D+00  0.175887D+01 -0.816849D+01 -0.555731D+01  0.785816D+00
      2   0.164918D+01  0.167433D+01 -0.555731D+01  0.179886D+01  0.419029D+00
      3   0.167433D+01  0.523763D+01  0.785816D+00  0.419029D+00  0.990534D+00
               256           257           258           259           260 
      1  -0.216389D+01  0.335485D+01 -0.574348D+00 -0.308956D+01 -0.106128D+01
      2   0.335485D+01 -0.572711D+00 -0.207269D+01 -0.106128D+01 -0.357513D+01
      3  -0.574348D+00 -0.207269D+01  0.290473D+01  0.226738D+01  0.283901D+01
               261           262           263           264           265 
      1   0.226738D+01  0.366737D+01 -0.287131D+01  0.853358D+00 -0.376195D+01
      2   0.283901D+01 -0.287131D+01  0.295810D+01 -0.588581D+00  0.407108D+01
      3   0.264585D+01  0.853358D+00 -0.588581D+00  0.826295D+00 -0.779338D+00
               266           267           268           269           270 
      1   0.407108D+01 -0.779338D+00 -0.883359D+00  0.872514D+00  0.413046D+00
      2  -0.583709D+01  0.104544D+01  0.872514D+00 -0.962444D+00 -0.439661D+00
      3   0.104544D+01 -0.124747D+01  0.413046D+00 -0.439661D+00  0.316853D+00
               271           272           273           274           275 
      1  -0.144599D+01  0.216319D+01  0.121420D+00  0.194754D+01 -0.157984D+01
      2   0.216319D+01 -0.343665D+01  0.242725D+00 -0.157984D+01  0.669059D+01
      3   0.121420D+00  0.242725D+00 -0.795465D+00 -0.564575D-01  0.170437D-03
               276           277           278           279           280 
      1  -0.564575D-01  0.811846D+00 -0.184672D-01 -0.529092D+00  0.366731D+00
      2   0.170437D-03 -0.184672D-01  0.147590D+01  0.544567D+00  0.197937D+00
      3   0.682812D+00 -0.529092D+00  0.544567D+00 -0.655390D-02 -0.882490D+00
               281           282           283           284           285 
      1   0.197937D+00 -0.882490D+00 -0.614856D+00 -0.536618D+00  0.421848D-01
      2  -0.459144D+00  0.335219D-01 -0.536618D+00 -0.860482D+00 -0.306305D+00
      3   0.335219D-01 -0.793064D+00  0.421848D-01 -0.306305D+00 -0.122233D+01
               286           287           288           289           290 
      1  -0.159687D+01 -0.345832D+00  0.119510D-01  0.120964D+02  0.509389D+01
      2  -0.345832D+00 -0.128029D+01 -0.795764D-02  0.509389D+01  0.336007D+01
      3   0.119510D-01 -0.795764D-02 -0.622032D+01 -0.148858D+01 -0.937495D+00
               291           292           293           294           295 
      1  -0.148858D+01  0.345654D+01  0.264589D+01 -0.478015D+00 -0.304052D-01
      2  -0.937495D+00  0.264589D+01  0.254840D+01 -0.308837D+00 -0.325071D-01
      3   0.127066D+01 -0.478015D+00 -0.308837D+00  0.156672D+00  0.111624D+01
               296           297 
      1  -0.325071D-01  0.111624D+01
      2   0.375603D+00  0.401592D+00
      3   0.401592D+00 -0.522244D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.202573D+01  0.821346D+00 -0.250111D+01  0.555902D+01  0.767712D+00
      2  -0.129351D+02  0.235653D+01  0.822173D+01  0.372060D+01 -0.555798D+00
      3  -0.316216D+01 -0.355142D+01 -0.393599D+01  0.122086D+02  0.552183D-01
                 6             7             8             9            10 
      1  -0.300581D+01 -0.449932D+01  0.263357D+01  0.538096D+00 -0.497924D+01
      2  -0.581619D+00  0.316784D+01 -0.130074D+01 -0.390014D+01  0.172524D+02
      3  -0.337284D+01 -0.123135D+01  0.710625D+00  0.448898D+01  0.216105D+01
                11            12            13            14            15 
      1   0.408463D+00  0.153214D+01  0.859992D+00 -0.499980D+01 -0.718016D+01
      2   0.152189D+01 -0.262799D+01 -0.290487D+00  0.197898D+01 -0.178958D+01
      3   0.104509D+01  0.762849D+00  0.126567D+02 -0.353594D+00 -0.113878D+01
                16            17            18            19            20 
      1   0.818873D+01 -0.612971D+00  0.406892D+01 -0.616895D+00 -0.111046D+01
      2  -0.210079D+02 -0.176756D+01  0.317377D+01  0.859835D+01  0.284133D+01
      3   0.521791D+01 -0.186783D+01 -0.358717D+01 -0.458442D+01 -0.106965D+01
                21            22            23            24            25 
      1   0.722138D+00 -0.703598D+01 -0.346146D+01 -0.207238D+01  0.118100D+01
      2   0.533114D+01  0.717136D+01  0.367091D+01  0.160886D+01  0.142070D+01
      3  -0.626976D+00  0.110625D+02  0.278845D+01  0.244286D+01 -0.496044D+01
                26            27            28            29            30 
      1   0.265492D+01 -0.175338D+01  0.250414D+01  0.253820D+01  0.374008D+01
      2   0.167520D+01  0.118663D+01 -0.142479D+02 -0.364275D+01 -0.582404D+00
      3  -0.132623D+00 -0.175146D+01 -0.373440D+01 -0.836486D+00  0.170618D+01
                31            32            33            34            35 
      1   0.603304D+01 -0.193927D+01 -0.764551D+01  0.617336D+01 -0.498199D+00
      2  -0.538611D+01 -0.516831D+01 -0.165089D+01 -0.213897D+02 -0.252081D+01
      3   0.880756D+01  0.455116D+01 -0.211133D+00  0.238447D+01  0.261767D+01
                36            37            38            39            40 
      1   0.380413D+01 -0.383022D+01  0.133520D+00 -0.113622D+01  0.419415D+01
      2   0.255355D+01  0.599171D+01  0.493870D+01  0.457727D+01  0.387546D+01
      3  -0.306696D+01 -0.159353D+01 -0.263605D+01 -0.360257D+01  0.100345D+02
                41            42            43            44            45 
      1   0.385558D+01 -0.102223D+01 -0.567384D+00  0.305913D+01 -0.199617D+00
      2   0.783900D+00 -0.215813D-01 -0.132537D+02 -0.273807D+01  0.162839D+00
      3  -0.858330D+00 -0.372070D+01  0.140798D+01 -0.149412D+01  0.331241D+01
                46            47            48            49            50 
      1   0.449493D+01 -0.224665D+01 -0.855027D+00 -0.623851D+01 -0.855239D+00
      2  -0.708808D+01 -0.214383D+01  0.436259D+01 -0.498743D+01  0.310948D+00
      3  -0.437213D+01 -0.109180D+01 -0.363879D+00  0.903171D+01  0.233498D+01
                51            52            53            54            55 
      1  -0.213244D+01  0.465181D+01  0.382911D+01 -0.601766D+00  0.438232D+01
      2   0.237036D+01 -0.101996D+02 -0.140377D+01 -0.630059D+00 -0.857743D+01
      3   0.335748D+01 -0.610928D+01  0.959747D+00 -0.149325D+01 -0.117367D+02
                56            57            58            59            60 
      1  -0.129871D+01  0.146648D+01 -0.342527D+01  0.681869D+01 -0.156178D+01
      2   0.152910D+01 -0.348046D+01  0.467402D+01 -0.104778D+02 -0.165743D+00
      3   0.266613D+01 -0.253292D+01  0.261651D+02  0.151521D+02  0.797431D+01
                61            62            63            64            65 
      1   0.508820D+01  0.407214D+01 -0.585685D+01 -0.460594D+01  0.514773D+00
      2  -0.257252D+02 -0.315282D+01  0.161616D+02  0.416501D+01 -0.416216D+01
      3  -0.893926D+01  0.100986D+02 -0.230898D+01  0.246202D+02 -0.778919D+01
                66            67            68            69            70 
      1  -0.264508D+00  0.469597D+00  0.127934D+01 -0.176941D+01 -0.409441D+01
      2   0.179669D+02 -0.106594D+02  0.100355D+02  0.318102D+00  0.193787D+02
      3   0.606225D+01 -0.730159D+01 -0.176746D+02 -0.899504D+01  0.113104D+02
                71            72            73            74            75 
      1   0.520984D+01 -0.634006D+00 -0.477780D+00  0.314774D+01 -0.597424D+01
      2  -0.712589D+00 -0.306702D+02 -0.177285D+01  0.717344D+01 -0.101421D+02
      3  -0.115502D+02  0.254825D+01 -0.287829D+02 -0.873440D+01 -0.508605D+01
                76            77            78            79            80 
      1   0.357416D+01 -0.720190D+01  0.469128D+00 -0.801941D+01  0.667261D+01
      2   0.885238D+01 -0.103533D+02  0.450462D+01 -0.188735D+02  0.736205D+01
      3  -0.225578D+01  0.887632D+01  0.763347D+01 -0.650438D+01  0.108967D+02
                81            82            83            84            85 
      1   0.844774D+01  0.252502D+01 -0.124608D+01  0.358878D+01 -0.267364D+01
      2   0.177880D+02 -0.240067D+01  0.738809D+01 -0.184130D+02  0.934524D+01
      3  -0.159848D+01 -0.214334D+02  0.467184D+01 -0.975416D+01  0.223119D+02
                86            87            88            89            90 
      1  -0.251109D+00 -0.368619D+01  0.547495D+01  0.280291D+00 -0.189971D+01
      2  -0.196114D+02 -0.118103D+01 -0.344989D+02 -0.356993D+01  0.205210D+02
      3   0.283252D+02  0.221063D+02 -0.103486D+02  0.205132D+02 -0.234156D+01
                91            92            93            94            95 
      1  -0.192385D+01 -0.320422D+00  0.235378D+01  0.119685D+01 -0.774904D+00
      2   0.849106D-01  0.108581D+01  0.124971D+00  0.185414D+01  0.600819D+01
      3  -0.108646D+02  0.278853D+01 -0.846842D+00  0.320311D+02 -0.174803D+01
                96            97            98            99           100 
      1  -0.946807D+00  0.551435D+01  0.771044D+01  0.268243D+01  0.206847D+01
      2  -0.101234D+02 -0.156675D+02 -0.120256D+02 -0.108640D+02  0.144088D+01
      3  -0.460602D+01 -0.143141D+01 -0.736060D+01  0.854468D+01  0.226822D+02
               101           102           103           104           105 
      1   0.305363D+01 -0.561686D+01 -0.674304D+00  0.111220D+01 -0.368882D+01
      2  -0.509986D+00  0.908938D+00 -0.101445D+00 -0.152099D+01  0.139437D+02
      3  -0.113688D+02  0.188681D+01 -0.200744D+01 -0.483622D+01 -0.677113D+00
               106           107           108           109           110 
      1  -0.422109D+01 -0.398653D+01  0.157188D+01 -0.193517D+01 -0.303927D+01
      2  -0.721350D+01  0.945183D+01  0.171868D+02 -0.113119D+02  0.104572D+01
      3   0.612801D+01 -0.472342D+01 -0.758351D+01 -0.197617D+01 -0.396864D+01
               111           112           113           114           115 
      1   0.272278D+01 -0.675409D+00  0.445723D+00 -0.286446D+01  0.542157D+00
      2   0.108497D+02 -0.531267D+00 -0.851139D+01 -0.972420D+01  0.600949D+01
      3  -0.566967D+00 -0.470509D+01  0.938041D+01  0.881012D+01 -0.851331D+01
               116           117           118           119           120 
      1   0.750643D+01 -0.611305D+01  0.312720D+01 -0.141270D+01  0.727147D+00
      2  -0.483527D+01 -0.359171D+02  0.649169D+01 -0.101225D+01  0.220983D+01
      3   0.127153D+02  0.653837D+01 -0.724715D+01  0.752924D+01 -0.250179D+01
               121           122           123           124           125 
      1  -0.198912D+01  0.288431D+01 -0.223195D+01 -0.290743D+01  0.669615D+01
      2   0.112928D+01  0.705948D+01 -0.227975D+01  0.977470D-01 -0.506213D+01
      3   0.892083D+01 -0.698409D+01 -0.475471D+01  0.467604D+01 -0.868749D+01
               126           127           128           129           130 
      1   0.489059D+01 -0.609422D+00  0.130985D+01 -0.482818D+00 -0.812432D+00
      2   0.182092D+02 -0.395334D+01 -0.619656D+00 -0.552112D+00 -0.172565D+01
      3   0.618130D+01  0.225459D+01 -0.168819D+00  0.690326D+00  0.322501D+01
               131           132           133           134           135 
      1   0.344442D+00 -0.324171D+01 -0.826184D+00  0.233576D+01 -0.244980D+01
      2   0.198874D+00  0.544896D+00 -0.349250D+01  0.338523D+00  0.188657D+01
      3  -0.912365D+00  0.246632D+00  0.188545D+01 -0.163973D+01 -0.300639D+00
               136           137           138           139           140 
      1  -0.120615D+01 -0.173343D+01  0.182723D+01  0.626714D-01  0.160033D+00
      2   0.673044D+01 -0.470201D+00 -0.977829D+00  0.636100D+00  0.141052D+00
      3  -0.318044D+01 -0.843207D+00  0.138867D+01  0.110409D+01  0.604420D+00
               141           142           143           144           145 
      1  -0.182445D+01  0.779100D+00  0.307595D+01 -0.106094D+01  0.144337D+01
      2  -0.881099D+00 -0.440666D+01  0.990242D-01 -0.102009D+01 -0.481492D+01
      3  -0.383024D+00  0.142173D+01  0.169115D+01 -0.944703D+00  0.833297D+00
               146           147           148           149           150 
      1   0.247347D+01  0.549853D+00  0.167739D+00  0.142358D+01 -0.157669D+01
      2  -0.149077D+01 -0.973842D+00 -0.262846D+01 -0.703999D+00 -0.468423D+00
      3  -0.811720D+00  0.564189D-02  0.209583D+01 -0.624777D+00 -0.711752D-01
               151           152           153           154           155 
      1   0.748861D+00  0.440756D+01  0.446471D+00  0.795951D-01 -0.206730D+01
      2  -0.397735D+01 -0.524583D+00  0.469947D+00  0.626737D+01 -0.408507D+00
      3   0.634083D+00 -0.215215D+01 -0.875298D+00 -0.122552D+01 -0.124650D+01
               156           157           158           159           160 
      1   0.698797D+00  0.179010D+00  0.462601D+00 -0.120002D+01 -0.157588D+01
      2  -0.994382D+00  0.684848D+00  0.412428D-01 -0.104416D+01 -0.564015D+01
      3   0.551233D+00  0.153856D+01  0.443123D+00  0.638727D-01 -0.706312D-02
               161           162           163           164           165 
      1   0.401847D+01  0.133486D+01  0.206748D+01 -0.247344D+00 -0.189312D+01
      2   0.602544D+00 -0.892263D+00 -0.522156D+01 -0.193526D+01  0.623240D+01
      3   0.190797D+01 -0.360094D+00  0.269289D+01 -0.307742D+01 -0.124535D+00
               166           167           168           169           170 
      1   0.752306D+00  0.201276D+00 -0.880678D+00 -0.216410D+01  0.145583D+01
      2  -0.195675D+01 -0.166308D+01  0.546270D-01  0.125477D+01  0.407691D+01
      3  -0.146506D+01 -0.221451D+01  0.168469D+01 -0.170503D+01  0.356835D+01
               171           172           173           174           175 
      1   0.738351D+01 -0.136055D+01 -0.313707D+00 -0.100800D+01 -0.141476D+01
      2  -0.182926D+02  0.391703D+01  0.712242D+00  0.260603D+01  0.246575D+01
      3  -0.107722D+01 -0.191960D+01 -0.229837D+01  0.462761D+00 -0.184085D+01
               176           177           178           179           180 
      1  -0.500028D+01 -0.418792D+01 -0.194706D+01 -0.191344D+01 -0.147772D+01
      2   0.641940D+01  0.345588D+01  0.400691D+01  0.481801D+01  0.134619D+01
      3  -0.239973D+02 -0.246666D+01  0.177592D+01 -0.703119D+01 -0.249296D+01
               181           182           183           184           185 
      1   0.142543D+01 -0.118706D+01 -0.319450D-01 -0.386566D+00 -0.540413D+00
      2   0.100615D+02  0.447253D+00 -0.691068D+01 -0.187218D+00  0.343483D+01
      3  -0.296960D+01  0.112484D+01 -0.633871D+00  0.337946D+01  0.229765D+01
               186           187           188           189           190 
      1  -0.608165D+00 -0.358817D+00  0.317505D+01  0.508616D+00 -0.287568D+01
      2  -0.395578D+00 -0.111962D+02 -0.119332D+00  0.296973D+02 -0.544337D+01
      3  -0.282368D+01 -0.605473D+00 -0.319657D+01  0.172639D+00  0.254919D+01
               191           192           193           194           195 
      1  -0.295496D+00  0.389282D+01  0.683354D-01 -0.113285D+01 -0.170664D+01
      2   0.117314D+01  0.807364D+01 -0.116757D+00 -0.244244D+01 -0.888677D+00
      3  -0.327281D+01  0.798731D+00 -0.195405D+00  0.747716D+00  0.241708D+01
               196           197           198           199           200 
      1   0.422774D+01  0.390648D+00 -0.124695D+02  0.286569D+01 -0.158246D+01
      2   0.508405D+01 -0.583067D+01 -0.252028D+02  0.621283D+01 -0.455659D+01
      3   0.180993D+01  0.698247D+01  0.309242D+01  0.615793D+01 -0.884125D+01
               201           202           203           204           205 
      1   0.429579D+01 -0.300022D+01  0.298073D+01 -0.430686D+01  0.409709D+01
      2   0.770802D+01 -0.480220D+01  0.802617D+01 -0.664238D+01  0.736935D+01
      3   0.172430D+01 -0.467516D+01  0.147636D+02 -0.536453D+01  0.271013D+01
               206           207           208           209           210 
      1  -0.185818D+01  0.404405D+01 -0.159485D+01 -0.412554D+00 -0.210071D+01
      2  -0.789877D+01  0.779426D+01 -0.230835D+01 -0.972327D+00 -0.665439D+00
      3  -0.103853D+02  0.461460D+01  0.270813D+02  0.121130D+02  0.130084D+01
               211           212           213           214           215 
      1  -0.664129D+00  0.425616D+00 -0.195750D+01 -0.173477D+01 -0.604832D-01
      2  -0.105738D+01  0.434279D+00 -0.949397D+00 -0.370828D+01 -0.237270D+01
      3   0.123357D+02  0.101163D+02 -0.361982D+00  0.167403D+01 -0.132540D+01
               216           217           218           219           220 
      1  -0.112588D+01  0.142596D+01 -0.131897D+00 -0.185482D+01  0.639198D+00
      2  -0.155547D+01 -0.115997D+02 -0.235152D+01  0.132628D+02 -0.182084D+01
      3   0.326261D+01  0.161758D+01 -0.452212D+01  0.811799D+00 -0.451083D+01
               221           222           223           224           225 
      1   0.543231D+00 -0.115189D+01 -0.240741D+01  0.164444D+01  0.421703D+01
      2  -0.297667D+01  0.130832D+01  0.173757D+02  0.373923D+01 -0.329615D+02
      3  -0.380481D+01  0.222366D+01  0.165607D+01  0.642552D+01 -0.807459D+00
               226           227           228           229           230 
      1   0.415305D+00  0.264522D+00 -0.404766D+00  0.856888D+00  0.372609D+01
      2   0.278673D+01 -0.191601D+00  0.263530D+01  0.168047D+01  0.130860D+02
      3  -0.521775D+01 -0.284876D+01 -0.133504D+00 -0.834689D+01 -0.416837D+02
               231           232           233           234           235 
      1  -0.246593D+01 -0.567329D+00  0.143529D+01 -0.613544D+00 -0.293806D+01
      2   0.102581D+02  0.507373D+01  0.940435D+01  0.677656D+01  0.101041D+02
      3  -0.133189D+02 -0.181801D+01 -0.140213D+02 -0.840509D+01  0.143787D+02
               236           237           238           239           240 
      1   0.220407D+01 -0.131371D+01  0.232559D+01 -0.279785D+01  0.779261D+00
      2  -0.382313D+01  0.123638D+02 -0.668997D+01  0.741639D+01 -0.871418D+01
      3  -0.107098D+02  0.672029D+01 -0.130414D+02  0.116763D+02 -0.958688D+01
               241           242           243           244           245 
      1  -0.235361D+01  0.326721D+01 -0.153484D+01 -0.199873D+01 -0.184453D-01
      2   0.145496D+02 -0.498674D+01  0.131684D+02  0.606420D+01  0.154398D+01
      3   0.815944D+01 -0.107896D+02  0.758460D+01 -0.963848D+00 -0.271643D+01
               246           247           248           249           250 
      1  -0.123735D+01 -0.487545D+00 -0.300359D+00 -0.241049D+01 -0.132799D+01
      2   0.349285D+01  0.142551D+01  0.324547D+01  0.583965D+01  0.739778D+00
      3   0.215427D+00 -0.203100D+01 -0.418025D+01 -0.306931D+01  0.297391D+00
               251           252           253           254           255 
      1   0.130965D+01 -0.531613D+01  0.365095D+01 -0.371285D+01 -0.461534D+01
      2   0.495011D+01  0.164475D+02 -0.578733D+01 -0.475859D+01  0.752056D+01
      3  -0.425449D+01 -0.393018D+01  0.205079D+01 -0.200930D+02 -0.265602D-02
               256           257           258           259           260 
      1  -0.772608D+00  0.780009D+01 -0.703253D+01 -0.424663D+01 -0.109942D+01
      2  -0.655307D+01 -0.583413D+01  0.102084D+02  0.717106D+01  0.107722D+02
      3  -0.158410D+02  0.772452D+01  0.678998D+01  0.919256D+00  0.104209D+02
               261           262           263           264           265 
      1  -0.114636D+02 -0.230420D+01  0.273545D+01  0.869157D+00  0.376076D+01
      2   0.115885D+02  0.129565D+00  0.273491D+00  0.301959D+01  0.443177D+00
      3  -0.661782D+01  0.746128D+01 -0.980487D+01  0.247251D+01 -0.112071D+02
               266           267           268           269           270 
      1  -0.511864D+01 -0.117459D+01  0.588124D+00 -0.576199D+00 -0.922940D+00
      2   0.378988D+00 -0.471494D+01  0.137472D+01 -0.190710D+01  0.259671D+00
      3   0.208637D+02 -0.338360D+01 -0.262406D+01  0.365103D+01  0.145540D+01
               271           272           273           274           275 
      1  -0.274177D+01  0.281810D+01  0.332620D+01  0.199091D+01 -0.632780D+01
      2  -0.158443D+01  0.256492D+01 -0.148804D+01  0.194485D+01 -0.207563D+01
      3  -0.124029D+02  0.139721D+02  0.136157D+00  0.115456D+02 -0.237200D+02
               276           277           278           279           280 
      1  -0.342526D+01  0.215195D+01 -0.121478D+01 -0.913164D+00  0.269924D+01
      2   0.102238D+01 -0.229342D+01  0.113592D+01 -0.550448D+00 -0.419021D+01
      3  -0.448937D+00  0.237011D+01 -0.449886D+01 -0.295143D+01 -0.363933D+00
               281           282           283           284           285 
      1   0.123567D+01  0.225084D+01  0.116853D+01  0.380794D+01  0.272118D+01
      2  -0.536722D+00 -0.342807D+01 -0.227572D+01 -0.181944D+01 -0.452169D+01
      3   0.135624D+01 -0.139174D+01  0.193402D+01  0.184481D+01  0.897974D+00
               286           287           288           289           290 
      1   0.130061D+01  0.457894D+01  0.146900D+02 -0.120233D+01 -0.128197D+01
      2  -0.429577D+01 -0.102105D+01 -0.202834D+02  0.481273D+01  0.547430D+00
      3  -0.158345D+01  0.307349D+01 -0.203892D+00  0.660416D+01 -0.464429D+01
               291           292           293           294           295 
      1  -0.327347D+01 -0.148255D+01 -0.189453D+01 -0.121071D+01 -0.230315D+01
      2   0.596864D+01  0.186702D+01  0.104378D+01  0.130047D+01  0.242315D+01
      3   0.853605D+00 -0.621676D+00 -0.437064D+01 -0.200036D-01 -0.572488D-01
               296           297 
      1   0.796270D-01  0.133222D+01
      2   0.741720D+00 -0.151153D+01
      3  -0.112191D+01  0.901910D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.478502D+01 -0.473203D+01 -0.204481D+02  0.970123D+01 -0.118392D+02
      2  -0.961644D+00 -0.137385D+00  0.379983D+01 -0.667717D+00  0.194760D+02
      3   0.574667D+01  0.486942D+01  0.166483D+02 -0.903351D+01 -0.763680D+01
      4  -0.697898D+01 -0.352181D+01 -0.842072D+01  0.282182D+01 -0.170936D+01
      5  -0.191029D+02 -0.694888D+01  0.827476D+00 -0.697641D+01 -0.237259D+01
      6  -0.101725D+02 -0.242806D+00 -0.514951D+00 -0.305754D+01  0.537928D+00
                 6             7             8             9            10 
      1  -0.385618D+01  0.275106D+02  0.107300D+02  0.148728D+02  0.508803D+02
      2   0.775498D+01 -0.652070D+01 -0.673029D+00 -0.629710D+01 -0.191005D+02
      3  -0.389880D+01 -0.209899D+02 -0.100570D+02 -0.857569D+01 -0.317799D+02
      4  -0.146189D+01  0.437693D+01  0.193867D+01 -0.386516D+01  0.412648D+01
      5  -0.687075D+01  0.136578D+02 -0.375413D+01 -0.444701D+01  0.704994D+01
      6   0.168213D+01 -0.578423D+01 -0.366915D+01 -0.118613D+02  0.831997D+00
                11            12            13            14            15 
      1   0.363093D+01  0.451777D+01  0.100336D+01 -0.334944D+01 -0.708860D+01
      2   0.521770D+00  0.270516D+01  0.374515D+01  0.811983D+01  0.296701D+01
      3  -0.415270D+01 -0.722293D+01 -0.474851D+01 -0.477038D+01  0.412160D+01
      4   0.129652D+01  0.319794D+01  0.141086D+02  0.391503D+01  0.374696D+00
      5   0.423593D+01  0.617386D+01 -0.967978D+01  0.924890D+00  0.162016D+01
      6   0.140952D+00  0.243689D+01 -0.740883D+01 -0.566782D+01  0.938919D+01
                16            17            18            19            20 
      1   0.107007D+02 -0.806848D+01 -0.179749D+02  0.412240D+01  0.123575D+02
      2  -0.574871D+01 -0.454362D+01  0.124720D+01  0.550951D+01 -0.952640D+01
      3  -0.495203D+01  0.126121D+02  0.167277D+02 -0.963192D+01 -0.283111D+01
      4  -0.126815D+02  0.831818D-01 -0.202504D+01  0.221977D+01  0.575022D+01
      5  -0.143302D+02 -0.557630D+00 -0.255588D+01  0.194751D+02  0.347102D+01
      6  -0.360040D+01  0.657810D+00  0.673695D+01  0.736534D+01 -0.192004D+01
                21            22            23            24            25 
      1   0.215360D+02 -0.810605D+01 -0.262253D+01  0.156269D+02 -0.196681D+02
      2  -0.939167D+01 -0.245227D+01  0.669489D+01  0.271778D+00  0.295599D+01
      3  -0.121443D+02  0.105583D+02 -0.407236D+01 -0.158986D+02  0.167121D+02
      4   0.486880D+01  0.710614D+01 -0.608884D+01 -0.219060D+00 -0.225473D+01
      5  -0.482105D+01  0.917301D+01  0.170674D+01  0.612037D+00  0.999381D+01
      6  -0.507231D+01  0.354127D+01 -0.299778D+00  0.412501D+01  0.125388D+02
                26            27            28            29            30 
      1   0.461598D+01  0.634912D+01  0.673265D+01  0.156378D+01 -0.277777D+01
      2  -0.739171D+00  0.104283D+01  0.782387D+00  0.725657D+00 -0.119009D+01
      3  -0.387681D+01 -0.739195D+01 -0.751504D+01 -0.228944D+01  0.396785D+01
      4  -0.313217D+00  0.738702D+01  0.622115D+01  0.474277D+01  0.521556D+00
      5   0.631472D+01  0.635992D+01 -0.102284D+01  0.515891D+00  0.756651D+01
      6   0.631465D+01 -0.798698D+01 -0.662605D+01  0.220636D+01  0.221291D+01
                31            32            33            34            35 
      1  -0.726274D+01 -0.273222D+01 -0.790545D+01  0.477046D+01 -0.575220D+01
      2   0.623346D+01  0.535892D+01  0.128693D-01 -0.617125D+01 -0.787075D+01
      3   0.102928D+01 -0.262670D+01  0.789259D+01  0.140079D+01  0.136229D+02
      4   0.166873D+02 -0.805564D-01 -0.294015D+01 -0.118320D+02 -0.657856D+01
      5  -0.133517D+02 -0.255878D+01  0.279950D+01 -0.156495D+02 -0.210741D+00
      6  -0.189150D+01 -0.373783D+01  0.786202D+01 -0.664424D+01  0.864485D-01
                36            37            38            39            40 
      1  -0.226001D+02  0.102619D+02 -0.204007D+01 -0.256559D+02  0.650869D+01
      2   0.485647D+01 -0.905600D+01 -0.146798D+01  0.322516D+01  0.379637D+01
      3   0.177436D+02 -0.120587D+01  0.350806D+01  0.224307D+02 -0.103051D+02
      4   0.303686D+00 -0.951484D+01 -0.523259D+01 -0.911174D+01  0.894779D+01
      5   0.152227D+01 -0.910199D+01 -0.641514D+01 -0.431107D+01 -0.526121D+01
      6   0.781448D+01 -0.713247D+01  0.105123D+01 -0.482227D+01 -0.262063D+01
                41            42            43            44            45 
      1  -0.102634D+02  0.189169D+00  0.179622D+02  0.882530D+01  0.102422D+02
      2   0.140452D+02  0.777984D+01 -0.307266D+00  0.367334D+01 -0.593414D+01
      3  -0.378178D+01 -0.796901D+01 -0.176550D+02 -0.124986D+02 -0.430810D+01
      4   0.324446D+00 -0.147237D+01  0.975448D+00  0.454024D+01 -0.476635D+01
      5  -0.107212D+01 -0.108469D+02  0.838038D+01 -0.547338D+01 -0.355416D+01
      6   0.358152D+01  0.600361D+01 -0.831019D+01 -0.238912D+01 -0.137370D+02
                46            47            48            49            50 
      1  -0.587652D+01  0.784267D+01  0.212419D+02 -0.245970D+02 -0.401030D+01
      2   0.925824D+01 -0.387256D+01 -0.837650D+01  0.757696D+01  0.402820D+01
      3  -0.338172D+01 -0.397011D+01 -0.128654D+02  0.170200D+02 -0.178996D-01
      4  -0.368776D-01  0.789333D+01  0.433563D+01  0.108395D+02 -0.410560D+01
      5   0.122603D+02  0.102822D+01 -0.959654D+01  0.447545D+01 -0.234039D+01
      6   0.476974D+01 -0.448240D+01 -0.727884D+01  0.100376D+01 -0.113778D+01
                51            52            53            54            55 
      1   0.203008D+02 -0.305063D+02  0.433009D+01 -0.756029D+00 -0.488338D+02
      2   0.805173D+00  0.449853D+01  0.299053D+00  0.381263D+01  0.210573D+02
      3  -0.211060D+02  0.260078D+02 -0.462914D+01 -0.305660D+01  0.277766D+02
      4  -0.371399D+00 -0.451656D+01 -0.151012D+01  0.569142D+01  0.924176D+01
      5   0.177575D+01  0.937807D+00  0.508560D+01  0.835130D+01 -0.782213D+01
      6   0.940210D+01  0.100927D+02  0.786394D+01 -0.113642D+02 -0.235580D+01
                56            57            58            59            60 
      1   0.102590D+02 -0.643636D+01  0.460893D+02 -0.112811D+01  0.127624D+02
      2  -0.597299D+01  0.451574D+00 -0.323993D+02 -0.176170D+02 -0.110831D+02
      3  -0.428600D+01  0.598478D+01 -0.136901D+02  0.187451D+02 -0.167926D+01
      4  -0.103259D+02  0.502813D+01 -0.265740D+02 -0.386070D+02 -0.120897D+02
      5   0.467785D+01 -0.158504D+02  0.115013D+02 -0.122672D+02  0.268905D+00
      6   0.125194D+01 -0.388303D+01  0.184933D-02 -0.636506D+01 -0.789267D+00
                61            62            63            64            65 
      1  -0.357193D+02  0.108053D+02 -0.159146D+02 -0.175795D+02 -0.396829D+02
      2   0.897262D+01 -0.124098D+02  0.133417D+02  0.139076D+02  0.197027D+02
      3   0.267467D+02  0.160447D+01  0.257292D+01  0.367188D+01  0.199802D+02
      4   0.859699D+01 -0.189797D+02 -0.747358D+01 -0.436811D+02  0.522807D+01
      5  -0.334485D+02 -0.679137D+01  0.342783D+02 -0.515362D+01 -0.126208D+02
      6  -0.683552D+01 -0.359039D+01  0.938670D+01 -0.321586D+01 -0.235096D+01
                66            67            68            69            70 
      1  -0.929890D+01 -0.802044D+02  0.126854D+02 -0.150095D+02  0.134663D+02
      2   0.361902D+00  0.425290D+02 -0.823808D+01  0.656316D+01 -0.694262D+01
      3   0.893700D+01  0.376753D+02 -0.444735D+01  0.844633D+01 -0.652369D+01
      4  -0.113554D+02  0.136246D+02  0.377243D+02  0.173953D+02 -0.141836D+02
      5   0.243106D+02 -0.228393D+02  0.184505D+02 -0.191590D+01  0.452100D+02
      6  -0.175657D+01  0.236121D+01 -0.630412D+00  0.656414D-01 -0.116021D+00
                71            72            73            74            75 
      1  -0.100125D+02  0.476205D+02  0.383101D+02  0.359266D+02 -0.283795D+01
      2   0.287930D+01 -0.134272D+02 -0.310617D+02 -0.155882D+02 -0.391395D+01
      3   0.713317D+01 -0.341933D+02 -0.724844D+01 -0.203384D+02  0.675190D+01
      4   0.216203D+02 -0.132304D+01  0.317957D+02 -0.202618D+02  0.129954D+02
      5  -0.627466D+00 -0.465620D+02 -0.506664D+01  0.130287D+02 -0.250083D+02
      6   0.479719D+01  0.322458D+00  0.755155D+01 -0.456455D+01  0.122648D+02
                76            77            78            79            80 
      1   0.411942D+02 -0.173560D+02  0.627234D+01 -0.618598D+01  0.867313D+01
      2  -0.180477D+02  0.120604D+02  0.385098D+01 -0.591039D+01  0.410602D+01
      3  -0.231465D+02  0.529566D+01 -0.101233D+02  0.120964D+02 -0.127791D+02
      4  -0.247254D+02 -0.119286D+02 -0.245756D+02  0.160038D+02 -0.331057D+02
      5   0.155363D+02 -0.233287D+02  0.862270D+01 -0.363472D+02  0.158544D+02
      6  -0.814458D+01  0.126026D+02 -0.405741D+01  0.142003D+02 -0.823854D+01
                81            82            83            84            85 
      1  -0.275686D+02  0.238699D+02  0.445621D+02  0.114406D+01  0.638836D+02
      2   0.165580D+02 -0.642612D+01 -0.255708D+02  0.301952D+01 -0.380939D+02
      3   0.110105D+02 -0.174438D+02 -0.189913D+02 -0.416358D+01 -0.257897D+02
      4   0.229409D+02  0.477602D+02 -0.559055D+01  0.197586D+02 -0.223809D+02
      5   0.383657D+02 -0.260106D+01  0.217969D+02 -0.407495D+02  0.284276D+02
      6  -0.121772D+02  0.630437D+01 -0.864314D+00 -0.889724D+00 -0.559291D+01
                86            87            88            89            90 
      1  -0.858752D+01  0.282806D+02 -0.680402D+01  0.237442D+02 -0.568537D+02
      2  -0.477415D+00 -0.198365D+02  0.653508D+01 -0.170833D+02  0.287415D+02
      3   0.906494D+01 -0.844409D+01  0.268944D+00 -0.666087D+01  0.281122D+02
      4  -0.503508D+02 -0.369477D+02  0.213619D+02 -0.342045D+02 -0.341229D+01
      5  -0.396398D+02  0.358398D+01 -0.631027D+02 -0.181263D+01  0.337443D+02
      6  -0.126958D+02 -0.774274D+01 -0.242084D+01 -0.766349D+01  0.528762D+01
                91            92            93            94            95 
      1   0.103820D+02  0.167530D+02 -0.727496D+01  0.275124D+02 -0.139093D+02
      2  -0.316397D+01 -0.121553D+02  0.457888D+01 -0.178614D+02  0.483633D+01
      3  -0.721798D+01 -0.459778D+01  0.269608D+01 -0.965102D+01  0.907296D+01
      4   0.119886D+02 -0.108256D+02  0.404060D+00 -0.380542D+02 -0.273627D+01
      5  -0.608910D+01  0.401544D+00 -0.694542D+01  0.737186D+01  0.655892D+01
      6   0.936549D-02  0.954617D+00 -0.557845D+01  0.495968D+01  0.741779D+01
                96            97            98            99           100 
      1  -0.270722D+01  0.287376D+00 -0.476754D+01  0.105640D+01 -0.352922D+01
      2   0.432211D+01  0.619719D+01  0.112369D+02 -0.242488D+01  0.459070D+01
      3  -0.161488D+01 -0.648457D+01 -0.646940D+01  0.136848D+01 -0.106147D+01
      4   0.651494D+01  0.820900D+01  0.161059D+02 -0.239762D+02  0.320097D+01
      5  -0.194986D+02 -0.145244D+02 -0.228497D+02 -0.230507D+02  0.151465D+02
      6  -0.991423D+01 -0.124508D+02 -0.125651D+02 -0.803940D+01 -0.129378D+01
               101           102           103           104           105 
      1  -0.478271D+01  0.941821D+01  0.625181D+01  0.154922D+02 -0.242295D+01
      2   0.386882D+01 -0.658808D+01 -0.742442D+01 -0.627818D+01  0.241307D+01
      3   0.913894D+00 -0.283013D+01  0.117261D+01 -0.921403D+01  0.987877D-02
      4   0.828376D+01 -0.892678D+00  0.137906D+02 -0.776010D+01 -0.179973D+00
      5  -0.554943D+00 -0.132521D+02 -0.265593D+01  0.833616D-01  0.263836D+02
      6   0.270122D+00  0.811789D+01 -0.152045D+01  0.179103D+01 -0.636727D+01
               106           107           108           109           110 
      1   0.241688D+02 -0.425327D+01 -0.146907D+02  0.430004D+02 -0.889823D+01
      2  -0.121656D+02 -0.103164D+01  0.129003D+02 -0.252937D+02  0.396916D+01
      3  -0.120032D+02  0.528490D+01  0.179038D+01 -0.177067D+02  0.492907D+01
      4  -0.101820D+02  0.763421D+01  0.191816D+02 -0.147112D+02  0.113152D+02
      5  -0.307114D+02  0.191325D+02  0.296140D+02 -0.367020D+02  0.333845D+01
      6   0.104336D+02 -0.115352D+02 -0.572816D+01  0.719022D+01 -0.298558D+01
               111           112           113           114           115 
      1  -0.267380D+02 -0.126952D+02  0.122595D+01  0.222497D+00 -0.446399D+02
      2   0.177448D+02  0.384709D+01  0.385254D+01 -0.623489D+00  0.272857D+02
      3   0.899328D+01  0.884808D+01 -0.507849D+01  0.400993D+00  0.173542D+02
      4   0.572013D+01  0.192220D+02 -0.158559D+02 -0.181723D+02  0.173545D+02
      5   0.299263D+02  0.926499D+01 -0.186712D+02 -0.193794D+02  0.437756D+02
      6  -0.588690D+01 -0.400599D+01  0.862780D+01  0.145242D+02 -0.720830D+01
               116           117           118           119           120 
      1   0.401317D+01  0.125411D+02  0.333022D+01  0.679894D+01  0.151083D+02
      2  -0.167496D+01 -0.227585D+02 -0.100654D+02  0.341924D+01 -0.103189D+02
      3  -0.233821D+01  0.102173D+02  0.673513D+01 -0.102182D+02 -0.478947D+01
      4  -0.252904D+02 -0.130929D+02  0.139907D+02 -0.190743D+02 -0.136434D+01
      5  -0.129217D+02 -0.753775D+02  0.137668D+02  0.216753D+01  0.978919D+01
      6   0.138368D+02  0.198401D+02 -0.821876D+00 -0.159977D+01 -0.116159D+01
               121           122           123           124           125 
      1   0.157701D+02 -0.247587D+02  0.632384D+01  0.249563D+02 -0.619770D+00
      2   0.877999D+00  0.761736D+01 -0.479563D+01 -0.144490D+02 -0.207394D+01
      3  -0.166481D+02  0.171413D+02 -0.152820D+01 -0.105073D+02  0.269371D+01
      4  -0.215693D+02  0.259656D+02  0.780298D+01 -0.160451D+02  0.198933D+02
      5   0.350923D+00  0.724698D+01 -0.477079D+01  0.273479D+02 -0.167823D+02
      6  -0.136025D+01 -0.494680D+01  0.851635D+01 -0.703719D+01  0.137428D+02
               126           127           128           129           130 
      1   0.371045D+01  0.174321D+00 -0.275513D+01 -0.197331D+01 -0.810742D+00
      2  -0.127688D+02 -0.102416D+01  0.257915D+01 -0.248136D+00  0.110189D+00
      3   0.905830D+01  0.849844D+00  0.175976D+00  0.222145D+01  0.700553D+00
      4  -0.141765D+02  0.432997D+01  0.430675D+01  0.433231D+01  0.410789D+01
      5   0.411778D+02  0.782049D+01  0.468703D+01  0.846045D+01  0.592652D+01
      6  -0.141993D+02  0.543627D+01  0.452959D+01  0.602523D+01  0.488274D+01
               131           132           133           134           135 
      1  -0.768242D+01 -0.833071D+01 -0.346751D+01 -0.111589D+02 -0.192170D+02
      2   0.453502D+01  0.137353D+01 -0.138786D+01  0.471239D+01 -0.284141D+00
      3   0.314740D+01  0.695717D+01  0.485537D+01  0.644656D+01  0.195012D+02
      4   0.523518D+01  0.407231D+01  0.437664D+01  0.418913D+01  0.485694D+01
      5   0.574601D+01  0.791815D+01  0.972462D+01  0.656167D+01  0.143664D+02
      6   0.912535D+01  0.103260D+02  0.668037D+01  0.126518D+02  0.175818D+02
               136           137           138           139           140 
      1   0.489481D+01 -0.195268D+00  0.172369D+01  0.115415D+01 -0.238333D+01
      2  -0.588129D+01  0.421844D+00  0.374438D+01  0.707636D+00  0.331603D+00
      3   0.986484D+00 -0.226576D+00 -0.546808D+01 -0.186179D+01  0.205173D+01
      4  -0.492027D+01  0.304514D+01  0.255538D+01  0.229713D+01 -0.177788D+01
      5  -0.993051D+01  0.143500D+01  0.904622D+01  0.265716D+01 -0.237380D+01
      6   0.115486D+01 -0.195267D+01 -0.117858D+01 -0.186261D+01  0.251865D+01
               141           142           143           144           145 
      1  -0.450244D+01  0.426361D+01 -0.375004D+01 -0.139571D+02 -0.276417D+01
      2  -0.774460D+00  0.383089D+01  0.598531D+00 -0.694618D+01 -0.251650D+01
      3   0.527690D+01 -0.809450D+01  0.315150D+01  0.209033D+02  0.528067D+01
      4  -0.229774D+01  0.429453D+01 -0.446089D+01 -0.613185D+01  0.443659D+01
      5  -0.239924D+01  0.113970D+02 -0.294849D+01 -0.151615D+02  0.100676D+02
      6   0.370004D+01 -0.353567D+01  0.559757D+01  0.689046D+01  0.597046D+01
               146           147           148           149           150 
      1  -0.354550D+01 -0.536208D+01 -0.377208D+01 -0.806855D+01 -0.121901D+02
      2   0.974527D+00 -0.220067D+01 -0.110859D+01  0.189363D+01 -0.138628D+01
      3   0.257097D+01  0.756275D+01  0.488067D+01  0.617491D+01  0.135763D+02
      4   0.432047D+01  0.400523D+01  0.299996D+01  0.367755D+01  0.323885D+01
      5   0.565633D+01  0.117451D+02  0.653841D+01  0.546422D+01  0.936071D+01
      6   0.527489D+01  0.675199D+01  0.457947D+01  0.874860D+01  0.106701D+02
               151           152           153           154           155 
      1  -0.764468D+01 -0.124287D+02 -0.262201D+02  0.374324D+00 -0.451756D+00
      2  -0.269165D+01  0.118896D+01 -0.712031D+01 -0.853658D+01  0.990181D+00
      3   0.103363D+02  0.112397D+02  0.333404D+02  0.816226D+01 -0.538425D+00
      4   0.386371D+01  0.375174D+01  0.397540D+01 -0.341276D+01  0.296527D+01
      5   0.111812D+02  0.706006D+01  0.175351D+02 -0.156253D+02  0.206883D+01
      6   0.715982D+01  0.130895D+02  0.192091D+02  0.834238D+00 -0.276363D+01
               156           157           158           159           160 
      1   0.449928D+01  0.373633D+01 -0.242624D+01 -0.630135D+01  0.375980D+01
      2   0.860994D+01  0.125384D-01 -0.444239D+00 -0.241907D+01  0.936635D+01
      3  -0.131092D+02 -0.374887D+01  0.287048D+01  0.872042D+01 -0.131262D+02
      4   0.307612D+01  0.135121D+01 -0.119584D+01 -0.297191D+01  0.525767D+01
      5   0.164239D+02  0.221626D+01 -0.303041D+01 -0.378321D+01  0.170886D+02
      6  -0.804333D-01 -0.197287D+01  0.243784D+01  0.380705D+01 -0.312751D+01
               161           162           163           164           165 
      1  -0.316237D+01 -0.206747D+02  0.134826D+02 -0.449687D+00 -0.822614D+01
      2  -0.111553D+01 -0.156186D+02 -0.108112D+02  0.477642D+00  0.648283D+01
      3   0.427790D+01  0.362933D+02 -0.267145D+01 -0.279548D-01  0.174331D+01
      4  -0.446228D+01 -0.608562D+01  0.344885D+01  0.682802D+01 -0.607798D+01
      5  -0.397032D+01 -0.251528D+02 -0.163485D+02 -0.530732D+01  0.175499D+02
      6   0.595036D+01  0.609938D+01 -0.389551D+01 -0.245677D+01  0.399080D+01
               166           167           168           169           170 
      1  -0.850461D+01 -0.126862D+01  0.959808D+00 -0.147157D+02  0.110482D+01
      2   0.484337D+01  0.183648D+01 -0.656830D+00  0.121100D+02  0.567495D+00
      3   0.366124D+01 -0.567859D+00 -0.302979D+00  0.260568D+01 -0.167231D+01
      4   0.577367D+01  0.650841D+01 -0.543418D+01 -0.823383D+01 -0.889228D+01
      5  -0.195434D+01 -0.587006D+01  0.987538D+00  0.215232D+02  0.108179D+02
      6  -0.222452D+01 -0.226364D+01  0.540785D+01  0.659137D+01  0.782738D+01
               171           172           173           174           175 
      1  -0.441611D+01  0.700157D+01  0.712278D+01  0.372348D+01  0.794012D+01
      2  -0.113750D+02  0.139205D+01 -0.165100D+01 -0.121883D+01  0.508133D+01
      3   0.157912D+02 -0.839362D+01 -0.547179D+01 -0.250465D+01 -0.130215D+02
      4   0.108007D+02  0.101691D+02  0.129649D+02  0.710416D+00  0.238617D+02
      5  -0.427298D+02  0.464183D+01  0.820023D-01  0.413754D+01  0.148555D+01
      6  -0.146668D+02  0.169863D+01  0.198536D-01  0.730267D+00  0.117977D+01
               176           177           178           179           180 
      1  -0.173525D+02 -0.177422D+01  0.162515D+02 -0.371328D+01 -0.206769D-01
      2   0.388047D+02  0.430129D+01 -0.403791D+01  0.829239D+01  0.182228D+01
      3  -0.214522D+02 -0.252707D+01 -0.122136D+02 -0.457910D+01 -0.180161D+01
      4   0.537076D+02  0.638505D+01  0.674991D+01  0.156374D+02  0.838055D+01
      5   0.580673D+01  0.543899D+01  0.895220D+01  0.814003D+01  0.242243D+01
      6   0.296325D+01  0.555175D+01  0.318230D+01  0.739438D+01  0.275306D+01
               181           182           183           184           185 
      1  -0.116977D+02  0.470556D+01  0.142049D+02  0.952972D+01 -0.783848D+01
      2   0.116393D+01 -0.211079D+01 -0.291608D+01 -0.459180D+01  0.321933D+01
      3   0.105337D+02 -0.259477D+01 -0.112888D+02 -0.493792D+01  0.461915D+01
      4   0.552555D+01 -0.196054D+01  0.166119D+01  0.394712D+00 -0.477160D+01
      5   0.778637D+01  0.151819D+01 -0.489951D+01  0.129626D+01  0.388398D+01
      6  -0.570233D+00 -0.494350D+00  0.317247D+00 -0.141268D+01 -0.764385D-01
               186           187           188           189           190 
      1   0.241713D+01  0.228000D+02  0.334313D+01 -0.298614D+02  0.124143D+02
      2  -0.111717D+01 -0.799560D+01 -0.188339D+01 -0.715300D+01 -0.662935D+01
      3  -0.129996D+01 -0.148044D+02 -0.145974D+01  0.370144D+02 -0.578491D+01
      4   0.424779D+01  0.251980D+01  0.647006D+01 -0.956730D-02 -0.116525D+02
      5  -0.884420D+00 -0.305642D+01  0.339082D+00  0.471714D+02 -0.161510D+02
      6   0.696582D+01  0.218235D+00  0.378246D+01 -0.131130D+01  0.424236D+01
               191           192           193           194           195 
      1  -0.621432D+01 -0.123561D+02 -0.179583D+01  0.205655D+01 -0.257010D+01
      2   0.135014D+01  0.877643D+01 -0.633037D+00 -0.536993D+00  0.272332D+01
      3   0.486419D+01  0.357969D+01  0.242887D+01 -0.151956D+01 -0.153227D+00
      4   0.110509D+02  0.617807D+01  0.796228D+01 -0.470062D+01 -0.628686D+01
      5   0.350300D+01  0.200816D+02 -0.168016D+00 -0.635862D+01 -0.265636D+01
      6  -0.173377D+01 -0.674418D+01 -0.170666D+01  0.221761D+01  0.634888D+01
               196           197           198           199           200 
      1  -0.184559D+02 -0.132460D+01  0.810419D+01  0.322521D+02 -0.204326D+02
      2   0.123303D+02  0.303746D+01 -0.145080D+02 -0.777317D+01  0.814284D+00
      3   0.612559D+01 -0.171286D+01  0.640382D+01 -0.244789D+02  0.196183D+02
      4   0.107832D+02 -0.148494D+02 -0.182623D+02 -0.392468D+02  0.356298D+02
      5   0.250045D+02 -0.139676D+02 -0.552272D+02  0.159935D+02 -0.104338D+02
      6  -0.892427D+01  0.906303D+01  0.211238D+02 -0.796774D+01  0.655083D+01
               201           202           203           204           205 
      1   0.111317D+02 -0.188602D+02  0.967773D+01 -0.349233D+01  0.182628D+02
      2  -0.308631D+01 -0.676014D+00  0.124635D+02 -0.371466D+01 -0.549485D+01
      3  -0.804540D+01  0.195362D+02 -0.221412D+02  0.720699D+01 -0.127680D+02
      4  -0.133036D+02  0.366839D+02 -0.467944D+02  0.186670D+02 -0.231342D+02
      5   0.155048D+02 -0.114098D+02  0.166372D+02 -0.121904D+02  0.210487D+02
      6  -0.770026D+01  0.772710D+01 -0.117494D+02  0.903953D+01 -0.103620D+02
               206           207           208           209           210 
      1  -0.583596D+01  0.965885D+01 -0.571003D+02 -0.236500D+02 -0.116029D+01
      2  -0.460611D+01 -0.399102D+01  0.336779D+02  0.204859D+02  0.112721D+01
      3   0.104421D+02 -0.566783D+01  0.234223D+02  0.316406D+01  0.330799D-01
      4   0.297838D+02 -0.203561D+02  0.548307D+01 -0.927611D+01 -0.174414D+01
      5  -0.171610D+02  0.170048D+02 -0.160280D+01 -0.244768D+01 -0.132001D+01
      6   0.118390D+02 -0.103916D+02 -0.162854D+01 -0.431256D+00  0.255438D+01
               211           212           213           214           215 
      1  -0.180174D+02 -0.200491D+02 -0.982640D+00 -0.176673D+01 -0.901604D-02
      2   0.153747D+02  0.187384D+02 -0.622358D-01  0.181429D+01 -0.625131D+00
      3   0.264272D+01  0.131070D+01  0.104488D+01 -0.475590D-01  0.634147D+00
      4  -0.168040D+01 -0.606770D+01  0.180776D+01 -0.766273D+00  0.350650D+01
      5  -0.129620D+01  0.121765D+01 -0.220730D+01  0.196544D+01 -0.429779D+01
      6   0.799056D+00 -0.660766D+00  0.333041D+01  0.164475D+01  0.436582D+01
               216           217           218           219           220 
      1  -0.423745D+01  0.421749D+02  0.138961D+01 -0.240360D+02 -0.445920D+01
      2   0.203269D+01 -0.225698D+02  0.121844D+00  0.116882D+02  0.376730D+01
      3   0.220477D+01 -0.196051D+02 -0.151145D+01  0.123478D+02  0.691894D+00
      4  -0.411117D+01  0.329457D+01  0.843356D+01 -0.591896D+01  0.132800D+02
      5  -0.402771D+01 -0.237537D+02 -0.520353D+01  0.261388D+02 -0.438563D+01
      6   0.118820D+01 -0.323734D+01 -0.517208D+00  0.278989D+01 -0.118189D+01
               221           222           223           224           225 
      1   0.841659D+01 -0.408850D+01 -0.522148D+02 -0.920149D+01  0.343188D+02
      2  -0.290380D+01  0.175156D+01  0.270928D+02  0.393086D+01 -0.213041D+02
      3  -0.551279D+01  0.233694D+01  0.251220D+02  0.527063D+01 -0.130147D+02
      4   0.921491D+01 -0.612343D+01 -0.121791D+02 -0.133000D+02  0.752154D+01
      5  -0.559942D+01  0.203741D+01  0.420192D+02  0.706544D+01 -0.622233D+02
      6   0.161619D+00  0.408457D+01  0.393343D+01  0.423708D+01 -0.758846D+01
               226           227           228           229           230 
      1   0.366084D+01  0.108713D+02  0.567006D+01  0.229124D+02  0.497152D+01
      2  -0.254143D-01 -0.429930D+01 -0.273438D+01 -0.755061D+01  0.139033D+02
      3  -0.363542D+01 -0.657196D+01 -0.293568D+01 -0.153618D+02 -0.188748D+02
      4   0.103281D+02  0.107813D+02  0.235218D+01  0.327721D+02  0.827203D+02
      5   0.576418D+01  0.266795D+01  0.683617D+01  0.100713D+02  0.279712D+02
      6   0.282588D+01  0.100556D+01  0.431746D+00  0.586320D+01  0.176633D+02
               231           232           233           234           235 
      1  -0.102837D+01  0.114615D+02 -0.173468D+01  0.664762D+01  0.826418D+02
      2   0.234914D+01 -0.621783D+01  0.262174D+01 -0.457336D+01 -0.472368D+02
      3  -0.132077D+01 -0.524366D+01 -0.887060D+00 -0.207426D+01 -0.354051D+02
      4   0.266713D+02  0.849637D+01  0.269913D+02  0.180625D+02 -0.234316D+02
      5   0.200767D+02  0.172951D+02  0.188031D+02  0.149402D+02  0.388199D+02
      6   0.111427D+02  0.366678D+01  0.111956D+02  0.747952D+01 -0.335063D+01
               236           237           238           239           240 
      1  -0.235321D+02  0.299049D+02 -0.536766D+02  0.195331D+02 -0.173793D+02
      2   0.136475D+02 -0.196633D+02  0.301097D+02 -0.990240D+01  0.127146D+02
      3   0.988464D+01 -0.102416D+02  0.235669D+02 -0.963070D+01  0.466477D+01
      4   0.174902D+02 -0.105640D+02  0.272079D+02 -0.210375D+02  0.177184D+02
      5  -0.124721D+02  0.299827D+02 -0.250773D+02  0.187643D+02 -0.203164D+02
      6   0.207920D+01 -0.585599D+00  0.484217D+01 -0.372957D+01  0.451600D+01
               241           242           243           244           245 
      1   0.462894D+02 -0.110358D+02  0.308285D+02  0.316655D+01  0.632171D+00
      2  -0.303554D+02  0.885059D+01 -0.239320D+02 -0.371772D+01  0.495111D-01
      3  -0.159339D+02  0.218518D+01 -0.689646D+01  0.551171D+00 -0.681682D+00
      4  -0.129876D+02  0.184206D+02 -0.114976D+02  0.497878D+01  0.723962D+01
      5   0.450284D+02 -0.127178D+02  0.337168D+02  0.137065D+02  0.428719D+01
      6  -0.186047D+01  0.487406D+01 -0.313375D+01  0.601235D+01  0.163420D+01
               246           247           248           249           250 
      1   0.810102D+01 -0.460453D+00 -0.751837D+00 -0.112234D+01  0.105866D+02
      2  -0.491617D+01  0.147737D+01  0.289537D+01  0.148520D+01 -0.753504D+01
      3  -0.318485D+01 -0.101692D+01 -0.214354D+01 -0.362860D+00 -0.305154D+01
      4   0.481111D+01  0.111018D+02  0.113920D+02  0.844816D+01  0.631118D+01
      5   0.115145D+02  0.531878D+01  0.880348D+01  0.122153D+02  0.162938D+02
      6   0.337081D+01  0.307501D+01  0.612011D+01  0.924326D+01  0.522848D+01
               251           252           253           254           255 
      1  -0.297906D+01 -0.362895D+01 -0.441179D+02 -0.470696D+02  0.759068D+01
      2   0.130473D+01 -0.695708D+01  0.311123D+01  0.335385D+02  0.206358D+01
      3   0.167433D+01  0.105860D+02  0.410067D+02  0.135311D+02 -0.965426D+01
      4   0.115659D+02  0.125591D+02 -0.583256D+02 -0.101628D+02  0.587028D+01
      5   0.120279D+02  0.358997D+02  0.124498D+02  0.979349D+01  0.633882D+01
      6   0.854711D+01  0.158054D+02  0.590924D+01  0.119091D+00  0.359246D+01
               256           257           258           259           260 
      1  -0.376455D+02  0.139865D+02  0.127746D+02 -0.232097D+01  0.147569D+02
      2   0.297474D+02 -0.181291D+02 -0.545018D+01  0.260995D+01 -0.129913D+02
      3   0.789813D+01  0.414262D+01 -0.732444D+01 -0.288987D+00 -0.176559D+01
      4   0.317443D+01  0.538390D+01 -0.946534D+01 -0.449584D+01 -0.166354D+02
      5   0.280051D+01 -0.147510D+02  0.151672D+02  0.139110D+02  0.156724D+02
      6  -0.572462D+01 -0.914211D+01  0.129814D+02  0.100158D+02  0.157042D+02
               261           262           263           264           265 
      1   0.902263D+01  0.294212D+02 -0.209870D+02  0.459014D+01 -0.240683D+02
      2   0.144078D+02 -0.767711D+01  0.373548D+01 -0.164494D+01  0.154828D+01
      3  -0.234304D+02 -0.217441D+02  0.172516D+02 -0.294520D+01  0.225200D+02
      4   0.210180D+02 -0.316000D+02  0.300008D+02 -0.583586D+01  0.405708D+02
      5   0.146643D+02  0.100411D+02 -0.714843D+01  0.732534D+01 -0.964102D+01
      6   0.430781D+01 -0.400485D+01  0.387311D+01 -0.210342D+01  0.498906D+01
               266           267           268           269           270 
      1   0.184728D+02 -0.338399D+01 -0.648948D+01  0.583559D+01  0.143260D+01
      2   0.734629D+01  0.530621D+00 -0.301829D+00  0.119039D+01 -0.121101D+00
      3  -0.258191D+02  0.285337D+01  0.679131D+01 -0.702598D+01 -0.131150D+01
      4  -0.526064D+02  0.932021D+01  0.873070D+01 -0.968821D+01 -0.426856D+01
      5   0.112704D+02 -0.102368D+02  0.408506D+01 -0.378541D+01  0.231035D+01
      6  -0.753971D+01  0.458463D+01 -0.179045D+01  0.277366D+01 -0.965177D+00
               271           272           273           274           275 
      1  -0.128039D+02  0.270637D+02 -0.155010D+01  0.182179D+02 -0.377313D+02
      2   0.156374D+02 -0.294346D+02 -0.343369D+00 -0.167882D+02  0.525001D+02
      3  -0.283343D+01  0.237089D+01  0.189347D+01 -0.142973D+01 -0.147688D+02
      4   0.250500D+01 -0.453695D+01  0.115305D+01  0.383781D+01  0.222064D+02
      5   0.300593D+01 -0.288409D+01 -0.329892D+01 -0.384057D+01  0.442839D+01
      6  -0.119546D+01  0.399001D+01 -0.493715D+01  0.129548D+01 -0.614911D+01
               276           277           278           279           280 
      1   0.483775D-01  0.370715D+01 -0.569652D+01 -0.702666D+01  0.140959D+01
      2   0.734452D+00 -0.291635D+01  0.912258D+01  0.473780D+01 -0.264673D+01
      3  -0.782829D+00 -0.790792D+00 -0.342606D+01  0.228886D+01  0.123714D+01
      4  -0.169269D+00  0.186800D+01  0.676342D+01 -0.482234D+00  0.284714D+01
      5   0.275510D+01 -0.187251D+01  0.226661D+01  0.622828D+00 -0.451167D+01
      6   0.571702D+01 -0.315095D+01  0.511765D+01  0.798719D+00 -0.223985D+01
               281           282           283           284           285 
      1   0.454177D+01 -0.824245D+01 -0.493306D+00 -0.320270D+01 -0.271176D+01
      2  -0.448550D+01  0.929788D+00 -0.165111D+01 -0.801151D+00 -0.354192D+01
      3  -0.562747D-01  0.731266D+01  0.214442D+01  0.400385D+01  0.625368D+01
      4   0.558698D+00 -0.282692D+01 -0.159581D+01 -0.676572D+01 -0.211273D+01
      5  -0.628977D+00 -0.530167D+00  0.949911D+00 -0.101325D+01 -0.707537D+01
      6   0.120250D+01 -0.283122D+01  0.959058D+00  0.151864D+01 -0.590595D+00
               286           287           288           289           290 
      1  -0.862725D+01  0.125591D+01 -0.184880D+02  0.794223D+02  0.256005D+02
      2   0.308795D+01 -0.512489D+01 -0.151354D+02 -0.250600D+02 -0.122254D+01
      3   0.553929D+01  0.386899D+01  0.336233D+02 -0.543623D+02 -0.243779D+02
      4  -0.606034D+01 -0.780650D+01 -0.353478D+01  0.687727D+02  0.400166D+02
      5   0.558978D+01  0.699265D-01 -0.332145D+02 -0.214575D+02 -0.101871D+02
      6   0.433127D+00  0.449210D+01 -0.198831D+02 -0.839840D+01 -0.679397D+01
               291           292           293           294           295 
      1  -0.539512D+01  0.179226D+02  0.987818D+01 -0.206936D+01  0.853101D+00
      2   0.227393D+01  0.763162D+00  0.660166D+01  0.234791D+00  0.129388D+01
      3   0.312119D+01 -0.186858D+02 -0.164798D+02  0.183457D+01 -0.214698D+01
      4  -0.901078D+01  0.327742D+02  0.261174D+02 -0.362076D+01 -0.577743D+00
      5   0.133210D+02 -0.682479D+01 -0.371759D+01  0.340829D+01  0.123514D+02
      6   0.741822D+01 -0.461894D+01 -0.413317D+01  0.289213D+01  0.629150D+01
               296           297 
      1  -0.126827D+01  0.608898D+01
      2   0.209486D+01 -0.448321D+01
      3  -0.826590D+00 -0.160578D+01
      4   0.118139D+01  0.617145D+01
      5   0.457040D+01 -0.503139D+01
      6   0.322170D+01 -0.248343D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Sep 13 17:50:50 2021, MaxMem=  6442450944 cpu:          162183.4 elap:           20323.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.52613 -19.47317 -10.58108 -10.46354 -10.45589
 Alpha  occ. eigenvalues --  -10.44940 -10.44469 -10.44293 -10.44200 -10.44188
 Alpha  occ. eigenvalues --  -10.44082 -10.43513 -10.43365 -10.42425 -10.42061
 Alpha  occ. eigenvalues --   -1.25928  -1.15934  -1.01712  -0.96889  -0.94205
 Alpha  occ. eigenvalues --   -0.88895  -0.88472  -0.82168  -0.81948  -0.80476
 Alpha  occ. eigenvalues --   -0.74434  -0.73223  -0.69853  -0.68709  -0.63717
 Alpha  occ. eigenvalues --   -0.63122  -0.61639  -0.59155  -0.58429  -0.56910
 Alpha  occ. eigenvalues --   -0.56392  -0.55634  -0.54069  -0.53562  -0.53038
 Alpha  occ. eigenvalues --   -0.52766  -0.49925  -0.49378  -0.48794  -0.48111
 Alpha  occ. eigenvalues --   -0.47613  -0.46851  -0.45157  -0.44594  -0.44162
 Alpha  occ. eigenvalues --   -0.43328  -0.42663  -0.42141  -0.39832  -0.35458
 Alpha  occ. eigenvalues --   -0.33572
 Alpha virt. eigenvalues --   -0.01343  -0.00814  -0.00486  -0.00421   0.00403
 Alpha virt. eigenvalues --    0.00609   0.00958   0.01603   0.02122   0.02202
 Alpha virt. eigenvalues --    0.02652   0.02829   0.03391   0.04115   0.04644
 Alpha virt. eigenvalues --    0.04915   0.05159   0.05602   0.05697   0.06014
 Alpha virt. eigenvalues --    0.06705   0.07526   0.07888   0.08588   0.08653
 Alpha virt. eigenvalues --    0.08874   0.09218   0.09769   0.10042   0.10354
 Alpha virt. eigenvalues --    0.11055   0.11310   0.11539   0.11597   0.12264
 Alpha virt. eigenvalues --    0.12441   0.12625   0.12883   0.13075   0.13525
 Alpha virt. eigenvalues --    0.13613   0.13901   0.14645   0.14821   0.15071
 Alpha virt. eigenvalues --    0.15344   0.15600   0.16175   0.16323   0.16513
 Alpha virt. eigenvalues --    0.17131   0.17855   0.18100   0.18301   0.18773
 Alpha virt. eigenvalues --    0.19170   0.19949   0.20325   0.20881   0.21153
 Alpha virt. eigenvalues --    0.21647   0.21731   0.22794   0.23012   0.23555
 Alpha virt. eigenvalues --    0.24034   0.24564   0.24809   0.24964   0.25525
 Alpha virt. eigenvalues --    0.26140   0.26450   0.27125   0.27208   0.27699
 Alpha virt. eigenvalues --    0.27896   0.28185   0.28389   0.28656   0.29059
 Alpha virt. eigenvalues --    0.29399   0.30091   0.30268   0.31053   0.31071
 Alpha virt. eigenvalues --    0.31515   0.31824   0.32511   0.32796   0.33055
 Alpha virt. eigenvalues --    0.33250   0.33876   0.34254   0.34697   0.35303
 Alpha virt. eigenvalues --    0.35376   0.35822   0.36280   0.37291   0.37615
 Alpha virt. eigenvalues --    0.37987   0.38869   0.39221   0.39590   0.40211
 Alpha virt. eigenvalues --    0.40459   0.40791   0.41066   0.41199   0.41477
 Alpha virt. eigenvalues --    0.42096   0.42613   0.42838   0.43120   0.43316
 Alpha virt. eigenvalues --    0.43849   0.44197   0.44579   0.44802   0.45581
 Alpha virt. eigenvalues --    0.46020   0.46480   0.46646   0.47098   0.47145
 Alpha virt. eigenvalues --    0.48527   0.48791   0.49074   0.49782   0.50145
 Alpha virt. eigenvalues --    0.50380   0.50677   0.51147   0.51517   0.51851
 Alpha virt. eigenvalues --    0.52165   0.52843   0.53620   0.53840   0.54354
 Alpha virt. eigenvalues --    0.54661   0.55247   0.55798   0.56295   0.56611
 Alpha virt. eigenvalues --    0.57030   0.57080   0.57611   0.57903   0.58727
 Alpha virt. eigenvalues --    0.58910   0.59064   0.59402   0.60138   0.60435
 Alpha virt. eigenvalues --    0.60526   0.61211   0.61987   0.62363   0.62627
 Alpha virt. eigenvalues --    0.62710   0.63098   0.64387   0.64619   0.64789
 Alpha virt. eigenvalues --    0.64999   0.65147   0.65808   0.66375   0.66830
 Alpha virt. eigenvalues --    0.67200   0.67724   0.68202   0.68493   0.68923
 Alpha virt. eigenvalues --    0.69484   0.69841   0.70602   0.70777   0.71204
 Alpha virt. eigenvalues --    0.71699   0.71953   0.72225   0.72796   0.73207
 Alpha virt. eigenvalues --    0.73751   0.74216   0.74454   0.75160   0.75368
 Alpha virt. eigenvalues --    0.75787   0.76801   0.77090   0.77530   0.77765
 Alpha virt. eigenvalues --    0.78176   0.79179   0.79861   0.80138   0.80506
 Alpha virt. eigenvalues --    0.80755   0.81649   0.82209   0.82382   0.83404
 Alpha virt. eigenvalues --    0.83937   0.84160   0.84971   0.85608   0.86035
 Alpha virt. eigenvalues --    0.86590   0.87424   0.87774   0.87986   0.88584
 Alpha virt. eigenvalues --    0.89046   0.89484   0.90007   0.90866   0.91477
 Alpha virt. eigenvalues --    0.91637   0.92507   0.93127   0.93909   0.94343
 Alpha virt. eigenvalues --    0.96069   0.96703   0.97230   0.97966   0.98354
 Alpha virt. eigenvalues --    0.99670   1.00477   1.00923   1.01600   1.03275
 Alpha virt. eigenvalues --    1.04295   1.05204   1.05476   1.06238   1.06478
 Alpha virt. eigenvalues --    1.07915   1.08749   1.09411   1.10760   1.11184
 Alpha virt. eigenvalues --    1.12584   1.12934   1.13685   1.14490   1.15576
 Alpha virt. eigenvalues --    1.16425   1.17513   1.17618   1.18477   1.20661
 Alpha virt. eigenvalues --    1.20952   1.21676   1.23217   1.23286   1.23942
 Alpha virt. eigenvalues --    1.24876   1.25887   1.27064   1.27508   1.28772
 Alpha virt. eigenvalues --    1.29741   1.31721   1.32183   1.34238   1.36633
 Alpha virt. eigenvalues --    1.38211   1.39232   1.39418   1.41295   1.42068
 Alpha virt. eigenvalues --    1.42677   1.44408   1.44753   1.45088   1.46217
 Alpha virt. eigenvalues --    1.46467   1.49257   1.50815   1.51723   1.52293
 Alpha virt. eigenvalues --    1.52864   1.53086   1.54090   1.54467   1.55344
 Alpha virt. eigenvalues --    1.56101   1.56817   1.57762   1.59702   1.60556
 Alpha virt. eigenvalues --    1.61483   1.62673   1.63687   1.63986   1.65335
 Alpha virt. eigenvalues --    1.65850   1.66641   1.66853   1.68172   1.69767
 Alpha virt. eigenvalues --    1.70044   1.70759   1.71545   1.72823   1.73163
 Alpha virt. eigenvalues --    1.74183   1.74368   1.76140   1.77103   1.78042
 Alpha virt. eigenvalues --    1.78319   1.79467   1.79798   1.79989   1.80404
 Alpha virt. eigenvalues --    1.81759   1.82228   1.83335   1.84508   1.85613
 Alpha virt. eigenvalues --    1.86257   1.87024   1.88372   1.89431   1.90568
 Alpha virt. eigenvalues --    1.91494   1.92140   1.92517   1.94385   1.94718
 Alpha virt. eigenvalues --    1.95719   1.96099   1.97149   1.97660   1.97946
 Alpha virt. eigenvalues --    1.99005   1.99530   1.99826   1.99977   2.00927
 Alpha virt. eigenvalues --    2.02519   2.03115   2.04431   2.05368   2.06191
 Alpha virt. eigenvalues --    2.06512   2.07165   2.08282   2.10187   2.10666
 Alpha virt. eigenvalues --    2.11248   2.11740   2.13380   2.13772   2.14231
 Alpha virt. eigenvalues --    2.14975   2.15997   2.17811   2.18125   2.18584
 Alpha virt. eigenvalues --    2.19595   2.19963   2.21202   2.21740   2.23329
 Alpha virt. eigenvalues --    2.23754   2.24118   2.25596   2.27435   2.28703
 Alpha virt. eigenvalues --    2.29142   2.30444   2.30884   2.32753   2.33471
 Alpha virt. eigenvalues --    2.33786   2.35533   2.36558   2.36760   2.37752
 Alpha virt. eigenvalues --    2.38137   2.39939   2.40244   2.42649   2.43817
 Alpha virt. eigenvalues --    2.44629   2.45787   2.48742   2.49411   2.52286
 Alpha virt. eigenvalues --    2.53318   2.53882   2.54716   2.55261   2.57263
 Alpha virt. eigenvalues --    2.58567   2.59981   2.61074   2.62400   2.64076
 Alpha virt. eigenvalues --    2.65138   2.65858   2.66078   2.67922   2.70018
 Alpha virt. eigenvalues --    2.72907   2.74699   2.75691   2.76822   2.77876
 Alpha virt. eigenvalues --    2.81184   2.81395   2.84861   2.87006   2.88272
 Alpha virt. eigenvalues --    2.89179   2.91448   2.94333   2.95249   2.96489
 Alpha virt. eigenvalues --    3.01532   3.08760   3.11623   3.12104   3.13835
 Alpha virt. eigenvalues --    3.16900   3.22608   3.30915   3.38893   3.43255
 Alpha virt. eigenvalues --    3.45150   3.47094   3.50571   3.51401   3.54555
 Alpha virt. eigenvalues --    3.56493   3.58846   3.64259   3.66088   3.75775
 Alpha virt. eigenvalues --    3.77630   3.86543   3.92957   4.06289   4.81246
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   50.451429 -16.482823 -15.445548   5.678672  -6.000175  -5.917927
     2  C  -16.482823  34.366778   5.846864 -10.012767  -2.335506  -6.393052
     3  C  -15.445548   5.846864  50.640179 -14.691709  -7.296468  -6.424264
     4  C    5.678672 -10.012767 -14.691709  36.809383  -6.967867  -2.490220
     5  C   -6.000175  -2.335506  -7.296468  -6.967867  35.848713  -6.109981
     6  C   -5.917927  -6.393052  -6.424264  -2.490220  -6.109981  34.074966
     7  C   -2.511466  -2.043858  -0.494363  -1.031172  -0.311394  -0.137479
     8  C   -0.776796   0.227212   0.037673  -0.229288   0.063844  -0.196637
     9  C   -0.595649   0.101501   0.051445  -0.081762   0.190521   0.261874
    10  C   -0.102595  -0.037529   0.042852   0.022342   0.007094  -0.044469
    11  C   -0.088635  -0.381742  -1.534845  -5.741489  -0.015932   0.229337
    12  C    0.087206  -0.089866  -1.444313   1.292493  -0.122055  -0.080041
    13  O   -0.051493   0.002886   0.207643  -0.140235  -0.031718  -0.000347
    14  O   -0.048311   0.021790   0.138912  -0.103473  -0.007420   0.003068
    15  H   -4.761888   3.005534   1.371793  -1.284322   0.002957   0.692674
    16  H    1.524059  -1.100221  -5.115094   2.426434   0.642477  -0.087239
    17  H   -0.307540   0.045740   0.295064   1.196637  -3.281004   1.181914
    18  H    0.248666   1.260109  -0.265016   0.207034   1.044370  -3.253100
    19  H   -0.957968  -0.510695  -0.112540  -0.050215   0.602107   0.862412
    20  H    1.164765   0.046856   0.296764   0.274728  -0.335613  -0.506553
    21  H    0.205405  -0.231477   0.098150   0.067167   0.030698   0.100746
    22  H   -0.110128  -0.119259   0.031180  -0.002618   0.128152   0.185178
    23  H   -0.030703   0.073834   0.000744  -0.001991   0.017004  -0.046230
    24  H    0.123414  -0.000187   0.014733   0.063362  -0.161425   0.022098
    25  H    0.108851   0.106998  -0.008094   0.013854  -0.008266  -0.045639
    26  H   -0.143407   0.219183   0.014329  -0.002298   0.021193   0.065157
    27  H   -0.022502  -0.136173   0.001202  -0.008813  -0.006001  -0.012910
    28  H   -0.064241  -0.001899  -0.258733   0.819441   0.083277   0.064933
    29  C    0.026128  -0.244641  -1.018693  -0.568855   0.332998   0.091135
    30  H    0.009354  -0.004114  -0.039157   0.047872  -0.003743   0.001394
    31  H   -0.028841  -0.041316   0.120044  -0.739923   0.119142   0.029261
    32  H   -0.013627  -0.118133  -0.536016   0.070988   0.196351   0.072476
    33  H    0.002180   0.055443   0.207479   0.910835  -0.249169  -0.042575
               7          8          9         10         11         12
     1  C   -2.511466  -0.776796  -0.595649  -0.102595  -0.088635   0.087206
     2  C   -2.043858   0.227212   0.101501  -0.037529  -0.381742  -0.089866
     3  C   -0.494363   0.037673   0.051445   0.042852  -1.534845  -1.444313
     4  C   -1.031172  -0.229288  -0.081762   0.022342  -5.741489   1.292493
     5  C   -0.311394   0.063844   0.190521   0.007094  -0.015932  -0.122055
     6  C   -0.137479  -0.196637   0.261874  -0.044469   0.229337  -0.080041
     7  C   14.757551  -0.511511   0.030748   0.184151  -0.358027  -0.028117
     8  C   -0.511511  10.781039  -0.808498  -0.495905  -0.034648   0.001340
     9  C    0.030748  -0.808498   5.134858  -0.184589  -0.004274  -0.000343
    10  C    0.184151  -0.495905  -0.184589   5.460155  -0.007846   0.000718
    11  C   -0.358027  -0.034648  -0.004274  -0.007846  17.374563  -3.014991
    12  C   -0.028117   0.001340  -0.000343   0.000718  -3.014991   8.282406
    13  O   -0.001230   0.000410  -0.000070   0.000021  -0.028131   0.575268
    14  O    0.000334  -0.000021  -0.000125  -0.000015   0.040850   0.115849
    15  H   -0.089413   0.082033   0.014021   0.022912  -0.039506   0.006500
    16  H    0.094327  -0.000691  -0.000980  -0.002157   0.257331   0.081703
    17  H    0.112488   0.002279   0.005476  -0.001069   0.028076  -0.028072
    18  H   -0.285735  -0.008092  -0.035875   0.027490   0.155600   0.004414
    19  H   -0.704445   0.064246   0.085807  -0.154493  -0.025501  -0.000044
    20  H   -1.578668   0.028238   0.013162  -0.012984   0.006884  -0.000729
    21  H   -0.158070  -2.158075   0.334491  -0.121353   0.009079  -0.000273
    22  H   -0.327655  -0.062215   0.259494  -0.107897   0.000595   0.000341
    23  H    0.112698  -0.088875   0.052155   0.122563   0.002554  -0.000164
    24  H   -0.208507   0.351146   0.156126  -0.114842  -0.013921   0.002336
    25  H   -0.054912  -0.411266  -0.053143   0.411565   0.001395   0.000105
    26  H   -0.240356   0.358726  -0.031190   0.044565  -0.000101   0.000047
    27  H    0.134944   0.291460   0.044695   0.045755  -0.001495   0.000002
    28  H   -0.010200   0.003688  -0.001150  -0.000130  -1.855231   0.279271
    29  C   -0.089267  -0.004462   0.000902   0.000986   0.573145   0.135215
    30  H   -0.000835  -0.000033   0.000057   0.000010   0.035824  -0.108958
    31  H   -0.015521   0.004203  -0.001577   0.000144   0.693770  -0.108189
    32  H   -0.013684  -0.000165  -0.001185   0.000080  -0.317664   0.100305
    33  H    0.001638  -0.000726   0.000288  -0.000012  -0.478817   0.002605
              13         14         15         16         17         18
     1  C   -0.051493  -0.048311  -4.761888   1.524059  -0.307540   0.248666
     2  C    0.002886   0.021790   3.005534  -1.100221   0.045740   1.260109
     3  C    0.207643   0.138912   1.371793  -5.115094   0.295064  -0.265016
     4  C   -0.140235  -0.103473  -1.284322   2.426434   1.196637   0.207034
     5  C   -0.031718  -0.007420   0.002957   0.642477  -3.281004   1.044370
     6  C   -0.000347   0.003068   0.692674  -0.087239   1.181914  -3.253100
     7  C   -0.001230   0.000334  -0.089413   0.094327   0.112488  -0.285735
     8  C    0.000410  -0.000021   0.082033  -0.000691   0.002279  -0.008092
     9  C   -0.000070  -0.000125   0.014021  -0.000980   0.005476  -0.035875
    10  C    0.000021  -0.000015   0.022912  -0.002157  -0.001069   0.027490
    11  C   -0.028131   0.040850  -0.039506   0.257331   0.028076   0.155600
    12  C    0.575268   0.115849   0.006500   0.081703  -0.028072   0.004414
    13  O    7.727979  -0.017244  -0.001544  -0.050025   0.002630  -0.000059
    14  O   -0.017244   7.944049  -0.001622  -0.009543   0.009156   0.000335
    15  H   -0.001544  -0.001622   3.365934  -0.294264   0.000691  -0.022425
    16  H   -0.050025  -0.009543  -0.294264   3.655963  -0.027236   0.003129
    17  H    0.002630   0.009156   0.000691  -0.027236   2.899226  -0.270166
    18  H   -0.000059   0.000335  -0.022425   0.003129  -0.270166   3.111015
    19  H   -0.000031  -0.000187   0.003902   0.002538   0.020486  -0.146553
    20  H   -0.000089   0.000005  -0.065053   0.003082  -0.008048   0.051009
    21  H    0.000099   0.000099  -0.073896   0.005109   0.000421   0.002794
    22  H    0.000001   0.000003  -0.013355   0.002400   0.001767  -0.019297
    23  H   -0.000013  -0.000019   0.005099  -0.001076  -0.001299   0.007900
    24  H   -0.000108  -0.000020   0.020221  -0.007159   0.000105  -0.008403
    25  H   -0.000003   0.000003   0.006138  -0.000688  -0.000784   0.014808
    26  H    0.000006   0.000002   0.011271   0.000355   0.000200  -0.000293
    27  H    0.000003  -0.000002  -0.005266   0.000185   0.000196  -0.003926
    28  H    0.005364  -0.046114   0.001835  -0.019847  -0.138204   0.000572
    29  C   -0.010127  -0.019851   0.007523   0.051363   0.016169   0.013006
    30  H   -0.032792   0.297400   0.000344  -0.000164  -0.000218  -0.000131
    31  H    0.020593   0.007023  -0.004702   0.014215  -0.008983   0.005404
    32  H    0.008547  -0.014784   0.006707  -0.088380   0.007323  -0.001222
    33  H   -0.002829   0.005501  -0.001938   0.021791   0.005595  -0.000042
              19         20         21         22         23         24
     1  C   -0.957968   1.164765   0.205405  -0.110128  -0.030703   0.123414
     2  C   -0.510695   0.046856  -0.231477  -0.119259   0.073834  -0.000187
     3  C   -0.112540   0.296764   0.098150   0.031180   0.000744   0.014733
     4  C   -0.050215   0.274728   0.067167  -0.002618  -0.001991   0.063362
     5  C    0.602107  -0.335613   0.030698   0.128152   0.017004  -0.161425
     6  C    0.862412  -0.506553   0.100746   0.185178  -0.046230   0.022098
     7  C   -0.704445  -1.578668  -0.158070  -0.327655   0.112698  -0.208507
     8  C    0.064246   0.028238  -2.158075  -0.062215  -0.088875   0.351146
     9  C    0.085807   0.013162   0.334491   0.259494   0.052155   0.156126
    10  C   -0.154493  -0.012984  -0.121353  -0.107897   0.122563  -0.114842
    11  C   -0.025501   0.006884   0.009079   0.000595   0.002554  -0.013921
    12  C   -0.000044  -0.000729  -0.000273   0.000341  -0.000164   0.002336
    13  O   -0.000031  -0.000089   0.000099   0.000001  -0.000013  -0.000108
    14  O   -0.000187   0.000005   0.000099   0.000003  -0.000019  -0.000020
    15  H    0.003902  -0.065053  -0.073896  -0.013355   0.005099   0.020221
    16  H    0.002538   0.003082   0.005109   0.002400  -0.001076  -0.007159
    17  H    0.020486  -0.008048   0.000421   0.001767  -0.001299   0.000105
    18  H   -0.146553   0.051009   0.002794  -0.019297   0.007900  -0.008403
    19  H    3.142512  -0.689060   0.140214   0.029585   0.009126  -0.022354
    20  H   -0.689060   2.801902   0.031041   0.014606  -0.013444   0.035291
    21  H    0.140214   0.031041   3.464468   0.177567  -0.069666  -0.091557
    22  H    0.029585   0.014606   0.177567   1.953845  -0.473686  -0.340651
    23  H    0.009126  -0.013444  -0.069666  -0.473686   2.202236  -0.639910
    24  H   -0.022354   0.035291  -0.091557  -0.340651  -0.639910   2.117147
    25  H   -0.066902   0.020382   0.144682  -0.008845  -0.006392   0.008991
    26  H    0.028507  -0.091680  -0.107753   0.000635   0.036919  -0.025127
    27  H    0.011809   0.026693  -0.123629  -0.022900  -0.056979   0.029306
    28  H   -0.001371   0.000332  -0.000026  -0.000371   0.000289  -0.000589
    29  C   -0.003879  -0.000626   0.000374   0.000465   0.001361  -0.005135
    30  H    0.000052  -0.000097  -0.000070  -0.000001   0.000002   0.000049
    31  H   -0.001045  -0.000194   0.000969   0.000163   0.000164  -0.005195
    32  H   -0.000212  -0.000035  -0.000660  -0.000195   0.000008  -0.000549
    33  H    0.000091   0.000140   0.000156   0.000119   0.000080   0.000697
              25         26         27         28         29         30
     1  C    0.108851  -0.143407  -0.022502  -0.064241   0.026128   0.009354
     2  C    0.106998   0.219183  -0.136173  -0.001899  -0.244641  -0.004114
     3  C   -0.008094   0.014329   0.001202  -0.258733  -1.018693  -0.039157
     4  C    0.013854  -0.002298  -0.008813   0.819441  -0.568855   0.047872
     5  C   -0.008266   0.021193  -0.006001   0.083277   0.332998  -0.003743
     6  C   -0.045639   0.065157  -0.012910   0.064933   0.091135   0.001394
     7  C   -0.054912  -0.240356   0.134944  -0.010200  -0.089267  -0.000835
     8  C   -0.411266   0.358726   0.291460   0.003688  -0.004462  -0.000033
     9  C   -0.053143  -0.031190   0.044695  -0.001150   0.000902   0.000057
    10  C    0.411565   0.044565   0.045755  -0.000130   0.000986   0.000010
    11  C    0.001395  -0.000101  -0.001495  -1.855231   0.573145   0.035824
    12  C    0.000105   0.000047   0.000002   0.279271   0.135215  -0.108958
    13  O   -0.000003   0.000006   0.000003   0.005364  -0.010127  -0.032792
    14  O    0.000003   0.000002  -0.000002  -0.046114  -0.019851   0.297400
    15  H    0.006138   0.011271  -0.005266   0.001835   0.007523   0.000344
    16  H   -0.000688   0.000355   0.000185  -0.019847   0.051363  -0.000164
    17  H   -0.000784   0.000200   0.000196  -0.138204   0.016169  -0.000218
    18  H    0.014808  -0.000293  -0.003926   0.000572   0.013006  -0.000131
    19  H   -0.066902   0.028507   0.011809  -0.001371  -0.003879   0.000052
    20  H    0.020382  -0.091680   0.026693   0.000332  -0.000626  -0.000097
    21  H    0.144682  -0.107753  -0.123629  -0.000026   0.000374  -0.000070
    22  H   -0.008845   0.000635  -0.022900  -0.000371   0.000465  -0.000001
    23  H   -0.006392   0.036919  -0.056979   0.000289   0.001361   0.000002
    24  H    0.008991  -0.025127   0.029306  -0.000589  -0.005135   0.000049
    25  H    1.747483  -0.328725  -0.430156   0.000043   0.000180   0.000000
    26  H   -0.328725   1.814501  -0.473876   0.000011   0.000276   0.000002
    27  H   -0.430156  -0.473876   1.871787  -0.000037  -0.000247   0.000001
    28  H    0.000043   0.000011  -0.000037   2.572422   0.023151   0.012108
    29  C    0.000180   0.000276  -0.000247   0.023151   5.295184   0.011763
    30  H    0.000000   0.000002   0.000001   0.012108   0.011763   0.575628
    31  H    0.000066   0.000046  -0.000070  -0.027435   0.113128  -0.001063
    32  H    0.000026  -0.000021  -0.000038   0.084287   0.684188   0.004430
    33  H    0.000006   0.000016  -0.000020   0.006053  -0.353121   0.000220
              31         32         33
     1  C   -0.028841  -0.013627   0.002180
     2  C   -0.041316  -0.118133   0.055443
     3  C    0.120044  -0.536016   0.207479
     4  C   -0.739923   0.070988   0.910835
     5  C    0.119142   0.196351  -0.249169
     6  C    0.029261   0.072476  -0.042575
     7  C   -0.015521  -0.013684   0.001638
     8  C    0.004203  -0.000165  -0.000726
     9  C   -0.001577  -0.001185   0.000288
    10  C    0.000144   0.000080  -0.000012
    11  C    0.693770  -0.317664  -0.478817
    12  C   -0.108189   0.100305   0.002605
    13  O    0.020593   0.008547  -0.002829
    14  O    0.007023  -0.014784   0.005501
    15  H   -0.004702   0.006707  -0.001938
    16  H    0.014215  -0.088380   0.021791
    17  H   -0.008983   0.007323   0.005595
    18  H    0.005404  -0.001222  -0.000042
    19  H   -0.001045  -0.000212   0.000091
    20  H   -0.000194  -0.000035   0.000140
    21  H    0.000969  -0.000660   0.000156
    22  H    0.000163  -0.000195   0.000119
    23  H    0.000164   0.000008   0.000080
    24  H   -0.005195  -0.000549   0.000697
    25  H    0.000066   0.000026   0.000006
    26  H    0.000046  -0.000021   0.000016
    27  H   -0.000070  -0.000038  -0.000020
    28  H   -0.027435   0.084287   0.006053
    29  C    0.113128   0.684188  -0.353121
    30  H   -0.001063   0.004430   0.000220
    31  H    1.760757  -0.359944  -0.396031
    32  H   -0.359944   1.812632  -0.374012
    33  H   -0.396031  -0.374012   1.888066
 Mulliken charges:
               1
     1  C    0.832133
     2  C    0.904529
     3  C    1.267802
     4  C    0.247777
     5  C   -0.087163
     6  C   -0.149959
     7  C    1.777005
     8  C   -0.509633
     9  C    1.062789
    10  C    0.994481
    11  C    0.533792
    12  C    0.058031
    13  O   -0.183361
    14  O   -0.315627
    15  H   -0.968894
    16  H   -0.981698
    17  H   -0.759017
    18  H   -0.837319
    19  H   -0.555899
    20  H   -0.513009
    21  H   -0.677222
    22  H   -0.177022
    23  H   -0.214289
    24  H   -0.299382
    25  H   -0.161763
    26  H   -0.171123
    27  H   -0.152996
    28  H   -0.531499
    29  C    0.940263
    30  H    0.194865
    31  H   -0.149063
    32  H   -0.207823
    33  H   -0.209708
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.136761
     2  C    0.904529
     3  C    0.286104
     4  C    0.247777
     5  C   -0.846180
     6  C   -0.987278
     7  C    0.708097
     8  C   -1.186855
     9  C    0.372096
    10  C    0.508600
    11  C    0.002293
    12  C    0.058031
    13  O   -0.183361
    14  O   -0.120762
    29  C    0.373669
 Electronic spatial extent (au):  <R**2>=           4744.4886
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.0861    Y=              0.4114    Z=              1.2011  Tot=              1.6708
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -90.0085   YY=            -89.3019   ZZ=            -92.4113
   XY=              1.6986   XZ=              6.5459   YZ=              0.2947
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.5654   YY=              1.2720   ZZ=             -1.8374
   XY=              1.6986   XZ=              6.5459   YZ=              0.2947
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             28.8133  YYY=            -15.1500  ZZZ=              3.8361  XYY=             28.7763
  XXY=             -9.0787  XXZ=             30.3648  XZZ=             -9.1486  YZZ=              3.0038
  YYZ=              1.3732  XYZ=             -9.1602
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5213.9722 YYYY=           -594.1546 ZZZZ=           -518.2888 XXXY=            -98.2675
 XXXZ=            154.0688 YYYX=            -60.4787 YYYZ=            -10.3018 ZZZX=              1.3186
 ZZZY=             11.1957 XXYY=           -889.9282 XXZZ=          -1013.3607 YYZZ=           -191.5547
 XXYZ=            -54.7886 YYXZ=             30.8031 ZZXY=              6.5776
 N-N= 9.705421025730D+02 E-N=-3.467433269485D+03  KE= 6.520926647192D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Sep 13 17:50:51 2021, MaxMem=  6442450944 cpu:               6.1 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-3.95197388D-01 1.16479224D-01 4.67266297D-01
 Polarizability= 2.07637691D+02 8.59182934D+00 1.29803752D+02
                -3.67801499D+00 6.80300155D+00 1.42111099D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        2.1257    2.1238        4.5860    4.5761
 2     -2.1257   -2.1238       -3.5572   -3.5542      -40.6638  -40.6734
 3     -4.5860   -4.5761       34.1422   34.1509        3.5541    3.5542
 4      3.5572    3.5542       -0.0000    0.0000       -4.5826   -4.5761
 5      6.5215    6.5225        4.5826    4.5761        2.1266    2.1238
 6     -3.5541   -3.5542       -2.1266   -2.1238        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -6.3714   -6.3714       13.7284   13.7284
 2     10.6626   10.6626       -0.0000    0.0000       13.7284   13.7284
 3     10.6626   10.6626       -6.3714   -6.3714       -0.0000    0.0000
 4     -6.3714   -6.3714      -10.6626  -10.6626     -122.0202 -122.0202
 5    -13.7284  -13.7284      102.4528  102.4528       10.6626   10.6626
 6     19.5674   19.5674       13.7284   13.7284        6.3714    6.3714
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.3294    0.0000       -9.2584   -8.4952      -18.1747  -18.3046
 2      8.5823    8.4952       13.7004   14.2168      162.5711  162.6936
 3     18.5606   18.3046     -136.6895 -136.6037      -13.9584  -14.2168
 4    -14.0882  -14.2168       -0.0526    0.0000       17.9005   18.3046
 5    -26.2844  -26.0899      -17.4626  -18.3046       -8.4713   -8.4952
 6     13.8935   14.2168        8.8291    8.4952       -0.3451    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.7354    0.0000       19.3891   19.6316       42.2630   42.1566
 2    -19.3422  -19.6316       18.4424   18.7855       42.1546   41.2683
 3    -41.7273  -42.1566        4.0330    3.6816      -18.9988  -18.7855
 4    -18.6361  -18.7855       -0.5467    0.0000      -42.9817  -42.1566
 5    -45.0395  -44.9499       42.3204   42.1566       18.2314   19.6316
 6     18.7282   18.7855      -20.5040  -19.6316        0.6560    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     18.6244   18.3909       19.8413   20.9983      -22.5106  -22.7893
 2    -25.2082  -25.5163       71.4381   72.4609      -23.3382  -22.7893
 3    -25.3811  -25.5163       20.1216   20.9983      -52.7220  -51.9048
 4    -51.0491  -51.4626       44.7140   43.9072       45.9284   45.7206
 5    -28.5247  -29.1155       33.3057   32.1944      -43.0908  -43.9072
 6    -78.6156  -77.9149       26.5605   29.1155       50.0769   51.4626
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.2480   -1.2187   -0.0003    0.0004    0.0007    1.8638
 Low frequencies ---   24.3249   38.3693   46.1605
 Diagonal vibrational polarizability:
       40.5311553      25.9089100       8.2901328
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.2900                38.3680                46.1577
 Red. masses --      3.6983                 6.7213                 4.7057
 Frc consts  --      0.0013                 0.0058                 0.0059
 IR Inten    --      0.1945                 1.3119                 0.6384
 RamAct Fr= 1--      0.2551                 1.0596                 1.8261
  Dep-P Fr= 1--      0.7328                 0.7500                 0.7459
  Dep-U Fr= 1--      0.8458                 0.8571                 0.8545
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0360                 0.1514                 0.2601
 AlphaG Fr= 1--     -0.0006                 0.0000                 0.0015
 Gamma2 Fr= 1--      0.3084                -0.9224                 0.0448
 Delta2 Fr= 1--      0.2289                -0.2464                -0.8308
 Raman1 Fr= 1--       1.020                  4.238                  7.304
 ROA1   Fr= 1--      36.926                -96.434                -22.284
 CID1   Fr= 1--      36.188                -22.752                 -3.051
 Raman2 Fr= 1--       0.432                  1.816                  3.121
 ROA2   Fr= 1--       5.570                -20.167                  7.722
 CID2   Fr= 1--      12.907                -11.102                  2.474
 Raman3 Fr= 1--       0.863                  3.633                  6.241
 ROA3   Fr= 1--      36.926                -96.434                -22.284
 CID3   Fr= 1--      42.786                -26.544                 -3.570
 RC180  Fr= 1--       0.692                  0.714                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.05  -0.10    -0.01  -0.09   0.02     0.04  -0.23   0.06
     2   6     0.01  -0.02  -0.08    -0.03  -0.08   0.00    -0.01  -0.09  -0.00
     3   6    -0.00   0.07  -0.10    -0.01  -0.10   0.03     0.04  -0.22   0.06
     4   6    -0.00   0.03  -0.07    -0.03  -0.09   0.03    -0.02  -0.07   0.00
     5   6     0.00  -0.04  -0.06    -0.03  -0.10   0.03    -0.06   0.05  -0.05
     6   6     0.01  -0.06  -0.06    -0.04  -0.09   0.01    -0.05   0.04  -0.05
     7   6     0.02  -0.04  -0.09    -0.05  -0.01  -0.04    -0.03  -0.03  -0.03
     8   6    -0.02   0.05   0.06     0.02   0.07  -0.03     0.03   0.08   0.02
     9   6    -0.05  -0.02   0.25     0.10   0.05   0.01     0.08   0.04   0.13
    10   6    -0.01   0.02   0.01    -0.01   0.15  -0.08     0.00   0.15  -0.04
    11   6    -0.00   0.03  -0.06    -0.05  -0.02   0.03    -0.04   0.00  -0.03
    12   6     0.00   0.00   0.08     0.02   0.04  -0.00     0.04   0.06  -0.01
    13   8     0.03  -0.10   0.12    -0.22  -0.10  -0.04     0.21   0.17   0.01
    14   8    -0.03   0.10   0.14     0.40   0.26   0.03    -0.09  -0.02  -0.02
    15   1     0.00   0.08  -0.12    -0.01  -0.09   0.01     0.07  -0.33   0.10
    16   1    -0.01   0.11  -0.11     0.00  -0.10   0.04     0.07  -0.31   0.10
    17   1     0.00  -0.07  -0.04    -0.04  -0.09   0.03    -0.10   0.16  -0.10
    18   1     0.02  -0.11  -0.05    -0.05  -0.09   0.01    -0.09   0.14  -0.10
    19   1     0.05  -0.18  -0.08    -0.07  -0.03  -0.05    -0.04  -0.08  -0.04
    20   1     0.02   0.01  -0.22    -0.09   0.01  -0.08    -0.07   0.00  -0.11
    21   1    -0.05   0.20   0.05     0.05   0.07  -0.02     0.05   0.14   0.03
    22   1    -0.03  -0.17   0.27     0.08   0.05   0.00     0.07  -0.02   0.13
    23   1    -0.08   0.04   0.36     0.14   0.10   0.02     0.11   0.11   0.17
    24   1    -0.06   0.00   0.29     0.12  -0.01   0.04     0.09   0.00   0.17
    25   1     0.01  -0.13   0.02    -0.04   0.15  -0.09    -0.02   0.09  -0.05
    26   1     0.00   0.08  -0.13    -0.06   0.17  -0.11    -0.04   0.18  -0.12
    27   1    -0.04   0.09   0.12     0.04   0.21  -0.08     0.04   0.23  -0.01
    28   1    -0.04   0.11  -0.07    -0.06  -0.01   0.02    -0.05   0.04  -0.03
    29   6     0.05  -0.05  -0.13    -0.12  -0.00   0.02    -0.13   0.00  -0.05
    30   1    -0.03   0.07   0.23     0.42   0.28   0.02    -0.02   0.02  -0.01
    31   1     0.04  -0.04  -0.23    -0.18  -0.05   0.02    -0.18  -0.04  -0.04
    32   1     0.10  -0.13  -0.12    -0.10  -0.02   0.03    -0.14  -0.03  -0.04
    33   1     0.05  -0.05  -0.11    -0.14   0.07   0.03    -0.15   0.06  -0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --     50.3115                70.4612                95.1085
 Red. masses --      3.1810                 3.1549                 5.4221
 Frc consts  --      0.0047                 0.0092                 0.0289
 IR Inten    --      0.2198                 0.0953                 0.1841
 RamAct Fr= 1--      2.1200                 1.7043                 2.3656
  Dep-P Fr= 1--      0.7341                 0.7200                 0.6391
  Dep-U Fr= 1--      0.8467                 0.8372                 0.7798
 Alpha2 Fr= 1--      0.0006                 0.0009                 0.0047
 Beta2  Fr= 1--      0.2992                 0.2378                 0.3075
 AlphaG Fr= 1--     -0.0014                 0.0008                 0.0025
 Gamma2 Fr= 1--     -0.3365                 0.0762                 0.0938
 Delta2 Fr= 1--     -0.0814                 0.4707                 0.1070
 Raman1 Fr= 1--       8.480                  6.817                  9.463
 ROA1   Fr= 1--     -34.905                 22.381                 12.424
 CID1   Fr= 1--      -4.116                  3.283                  1.313
 Raman2 Fr= 1--       3.590                  2.854                  3.690
 ROA2   Fr= 1--      -7.424                 -1.936                  1.394
 CID2   Fr= 1--      -2.068                 -0.679                  0.378
 Raman3 Fr= 1--       7.180                  5.708                  7.379
 ROA3   Fr= 1--     -34.905                 22.381                 12.424
 CID3   Fr= 1--      -4.861                  3.921                  1.684
 RC180  Fr= 1--       0.693                  0.674                  0.560
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04  -0.05     0.05  -0.05  -0.06    -0.07   0.08  -0.04
     2   6    -0.00  -0.06  -0.01    -0.00   0.01  -0.11    -0.06   0.10  -0.03
     3   6    -0.04   0.06  -0.05     0.06  -0.05  -0.02    -0.03  -0.04  -0.02
     4   6    -0.02  -0.01  -0.02     0.00   0.01  -0.02     0.03  -0.13   0.00
     5   6     0.01  -0.13   0.03    -0.06   0.09  -0.08     0.04  -0.11   0.01
     6   6     0.02  -0.15   0.03    -0.06   0.09  -0.13     0.00   0.00  -0.00
     7   6    -0.01  -0.04  -0.00     0.01  -0.04  -0.11    -0.07   0.13   0.02
     8   6     0.01  -0.03  -0.01    -0.08  -0.02   0.01    -0.14   0.04  -0.00
     9   6     0.19   0.02  -0.15     0.02  -0.01  -0.01    -0.23   0.06  -0.05
    10   6    -0.05   0.10   0.16    -0.09   0.00   0.23    -0.11  -0.06   0.05
    11   6    -0.03   0.03  -0.02     0.02  -0.02   0.06     0.02  -0.10  -0.00
    12   6    -0.00   0.04   0.03     0.01  -0.02   0.02     0.16  -0.00   0.01
    13   8     0.08   0.05   0.05    -0.03  -0.01   0.01     0.29   0.08   0.03
    14   8    -0.07   0.04   0.05     0.06  -0.02   0.01     0.19   0.01   0.01
    15   1    -0.05   0.10  -0.08     0.10  -0.10  -0.05    -0.11   0.15  -0.06
    16   1    -0.06   0.14  -0.08     0.11  -0.10   0.03    -0.06  -0.04  -0.04
    17   1     0.03  -0.19   0.05    -0.11   0.14  -0.09     0.07  -0.18   0.03
    18   1     0.04  -0.23   0.06    -0.11   0.14  -0.17     0.03   0.01   0.01
    19   1    -0.01  -0.01  -0.00     0.05  -0.13  -0.09    -0.04   0.18   0.03
    20   1    -0.04  -0.04   0.02     0.03  -0.01  -0.17    -0.07   0.10   0.09
    21   1    -0.08  -0.16  -0.05    -0.22  -0.04  -0.05    -0.17   0.03  -0.01
    22   1     0.30   0.16  -0.12     0.20   0.00   0.05    -0.26   0.07  -0.06
    23   1     0.17   0.01  -0.15    -0.09  -0.03   0.09    -0.26   0.00  -0.09
    24   1     0.22  -0.06  -0.30     0.02  -0.01  -0.20    -0.26   0.12  -0.05
    25   1     0.03   0.26   0.20     0.05   0.05   0.29    -0.07  -0.07   0.07
    26   1    -0.18   0.05   0.29    -0.17  -0.01   0.27    -0.05  -0.07   0.08
    27   1    -0.03   0.09   0.14    -0.17  -0.01   0.30    -0.17  -0.12   0.06
    28   1    -0.05   0.06  -0.03    -0.01  -0.08   0.09    -0.01  -0.08  -0.00
    29   6    -0.05   0.00  -0.05     0.08   0.04   0.14    -0.05  -0.08  -0.00
    30   1    -0.05   0.04   0.08     0.06  -0.01  -0.02     0.32   0.10   0.02
    31   1    -0.08  -0.01  -0.09     0.08   0.04   0.16    -0.11  -0.13  -0.01
    32   1    -0.02  -0.03  -0.05     0.10   0.10   0.11    -0.01  -0.10  -0.00
    33   1    -0.06   0.03  -0.05     0.08   0.02   0.19    -0.07  -0.01   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    178.2726               202.2722               221.8914
 Red. masses --      3.1070                 3.0324                 1.0863
 Frc consts  --      0.0582                 0.0731                 0.0315
 IR Inten    --      0.0958                 0.3701                 0.0980
 RamAct Fr= 1--      0.7149                 0.2694                 0.2017
  Dep-P Fr= 1--      0.5939                 0.7065                 0.2038
  Dep-U Fr= 1--      0.7452                 0.8280                 0.3386
 Alpha2 Fr= 1--      0.0021                 0.0002                 0.0027
 Beta2  Fr= 1--      0.0888                 0.0372                 0.0114
 AlphaG Fr= 1--     -0.0074                -0.0016                -0.0005
 Gamma2 Fr= 1--      0.1900                 0.4632                 0.2174
 Delta2 Fr= 1--      0.1653                 0.3423                 0.1083
 Raman1 Fr= 1--       2.860                  1.078                  0.807
 ROA1   Fr= 1--      23.528                 55.423                 24.338
 CID1   Fr= 1--       8.228                 51.431                 30.164
 Raman2 Fr= 1--       1.066                  0.446                  0.137
 ROA2   Fr= 1--       3.237                  8.379                  4.352
 CID2   Fr= 1--       3.038                 18.780                 31.866
 Raman3 Fr= 1--       2.131                  0.892                  0.273
 ROA3   Fr= 1--      23.528                 55.423                 24.338
 CID3   Fr= 1--      11.040                 62.114                 89.098
 RC180  Fr= 1--       0.490                  0.656                 -0.323
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.04  -0.00     0.05  -0.10  -0.02    -0.01   0.03  -0.00
     2   6    -0.05  -0.06   0.05     0.05  -0.03  -0.03    -0.00   0.02   0.00
     3   6    -0.12   0.00  -0.10     0.06  -0.12  -0.04    -0.01   0.01  -0.00
     4   6    -0.06   0.02  -0.14     0.05  -0.06  -0.06    -0.00  -0.01   0.00
     5   6    -0.02   0.04  -0.11     0.08  -0.10  -0.04    -0.00   0.02  -0.00
     6   6    -0.00   0.00  -0.01     0.09  -0.08  -0.02    -0.01   0.03  -0.00
     7   6    -0.06  -0.04   0.14     0.02   0.10   0.03     0.01  -0.01   0.00
     8   6     0.01  -0.04   0.06    -0.01   0.07   0.01     0.01  -0.01   0.00
     9   6     0.05  -0.03   0.02    -0.11   0.09  -0.04     0.03  -0.02   0.02
    10   6    -0.01   0.04  -0.06     0.03  -0.03   0.05     0.01  -0.00  -0.01
    11   6    -0.03  -0.03  -0.03     0.01   0.05  -0.02    -0.00  -0.01   0.01
    12   6     0.01  -0.01  -0.01    -0.03   0.03  -0.01     0.00  -0.01   0.00
    13   8     0.08   0.00   0.01    -0.07  -0.05   0.01    -0.01   0.00  -0.00
    14   8     0.04   0.04   0.02    -0.11   0.06   0.03     0.01  -0.02  -0.01
    15   1    -0.15  -0.06   0.03     0.03  -0.12  -0.00    -0.02   0.04  -0.00
    16   1    -0.17  -0.00  -0.14     0.05  -0.14  -0.03    -0.01   0.01  -0.00
    17   1     0.02   0.06  -0.15     0.11  -0.12  -0.04     0.00   0.02  -0.01
    18   1     0.05   0.02   0.02     0.10  -0.08  -0.01    -0.01   0.04  -0.00
    19   1    -0.03   0.07   0.15     0.06   0.19   0.05     0.00  -0.02   0.00
    20   1    -0.11  -0.07   0.23    -0.07   0.08   0.11     0.03  -0.01  -0.00
    21   1     0.10  -0.08   0.09    -0.01   0.06   0.01     0.02  -0.01   0.00
    22   1    -0.10   0.03  -0.03    -0.31   0.14  -0.12     0.13  -0.04   0.06
    23   1     0.19   0.01  -0.09    -0.00   0.06  -0.20    -0.05  -0.02   0.09
    24   1     0.08  -0.10   0.15    -0.12   0.10   0.13     0.02   0.01  -0.08
    25   1    -0.13   0.12  -0.11     0.10  -0.14   0.08    -0.03   0.08  -0.03
    26   1    -0.03   0.02  -0.01     0.08   0.00  -0.03     0.02  -0.04   0.07
    27   1     0.10   0.05  -0.17    -0.06  -0.03   0.15     0.04  -0.05  -0.09
    28   1    -0.12  -0.12   0.02    -0.05  -0.00   0.01    -0.01  -0.00   0.01
    29   6     0.18   0.07   0.12    -0.01   0.14   0.08    -0.03  -0.02  -0.00
    30   1     0.10   0.07   0.04    -0.19  -0.02   0.08     0.00  -0.02  -0.03
    31   1     0.21   0.09   0.11    -0.21   0.00   0.01    -0.42  -0.24  -0.33
    32   1     0.33   0.19   0.04     0.24   0.16   0.01     0.49  -0.20  -0.05
    33   1     0.20   0.00   0.33    -0.08   0.34   0.29    -0.16   0.37   0.36
                     10                     11                     12
                      A                      A                      A
 Frequencies --    229.0970               240.5552               252.6460
 Red. masses --      1.0975                 2.8311                 1.1559
 Frc consts  --      0.0339                 0.0965                 0.0435
 IR Inten    --      0.2882                 0.8810                 0.0444
 RamAct Fr= 1--      0.0737                 2.1732                 0.3296
  Dep-P Fr= 1--      0.7356                 0.1926                 0.7500
  Dep-U Fr= 1--      0.8477                 0.3230                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0301                 0.0000
 Beta2  Fr= 1--      0.0104                 0.1170                 0.0471
 AlphaG Fr= 1--     -0.0003                -0.0040                 0.0000
 Gamma2 Fr= 1--     -0.1793                -0.1062                -0.4782
 Delta2 Fr= 1--     -0.0178                 0.0912                -0.1963
 Raman1 Fr= 1--       0.295                  8.693                  1.319
 ROA1   Fr= 1--     -17.778                 -7.280                -52.190
 CID1   Fr= 1--     -60.342                 -0.837                -39.580
 Raman2 Fr= 1--       0.125                  1.404                  0.565
 ROA2   Fr= 1--      -4.160                 -3.280                 -9.907
 CID2   Fr= 1--     -33.317                 -2.336                -17.531
 Raman3 Fr= 1--       0.250                  2.807                  1.130
 ROA3   Fr= 1--     -17.778                 -7.280                -52.190
 CID3   Fr= 1--     -71.184                 -2.593                -46.177
 RC180  Fr= 1--       0.695                 -0.354                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.00     0.05  -0.08   0.06    -0.02  -0.03   0.03
     2   6     0.01   0.00  -0.00    -0.01  -0.07   0.02    -0.01  -0.01   0.03
     3   6     0.01  -0.02  -0.01     0.04  -0.01   0.07    -0.02  -0.02   0.01
     4   6     0.01  -0.01  -0.01     0.01   0.07   0.04    -0.01   0.00  -0.01
     5   6     0.02  -0.02  -0.01    -0.01  -0.03   0.05     0.00  -0.02   0.01
     6   6     0.02  -0.01  -0.00    -0.00  -0.09   0.04     0.00  -0.02   0.03
     7   6     0.00   0.01   0.00    -0.04  -0.02  -0.04    -0.02   0.02   0.00
     8   6    -0.00   0.01   0.00    -0.07   0.01  -0.02    -0.01   0.02  -0.02
     9   6    -0.03   0.00   0.03    -0.10   0.01  -0.02     0.01   0.02  -0.02
    10   6    -0.00   0.01  -0.03    -0.09   0.06   0.00     0.01  -0.02  -0.02
    11   6     0.00   0.01  -0.01     0.03   0.07   0.01    -0.01   0.01  -0.01
    12   6    -0.00   0.00  -0.01    -0.01   0.05   0.01    -0.01   0.01  -0.01
    13   8    -0.00  -0.02   0.00    -0.05   0.10  -0.02     0.00   0.01  -0.01
    14   8    -0.02   0.02   0.01     0.02  -0.01  -0.04    -0.00   0.02  -0.00
    15   1     0.00  -0.02   0.00     0.11  -0.11   0.05    -0.03  -0.04   0.04
    16   1     0.01  -0.03  -0.01     0.05  -0.01   0.08    -0.03  -0.03   0.00
    17   1     0.03  -0.03  -0.01    -0.05  -0.03   0.08     0.02  -0.02   0.00
    18   1     0.02  -0.01   0.00    -0.00  -0.13   0.05     0.02  -0.02   0.04
    19   1     0.01   0.01   0.00    -0.05  -0.07  -0.05    -0.05   0.05  -0.01
    20   1     0.00   0.02  -0.00    -0.05   0.00  -0.10    -0.03   0.01   0.02
    21   1     0.00   0.02   0.01    -0.08   0.01  -0.02    -0.01   0.02  -0.02
    22   1     0.26  -0.07   0.13    -0.23   0.02  -0.07     0.44  -0.03   0.14
    23   1    -0.29  -0.06   0.22    -0.03   0.01  -0.10    -0.34  -0.07   0.25
    24   1    -0.08   0.13  -0.25    -0.10   0.01   0.10    -0.05   0.16  -0.44
    25   1    -0.19   0.42  -0.09    -0.15   0.25  -0.01     0.12  -0.34   0.01
    26   1     0.06  -0.16   0.38    -0.13  -0.01   0.16     0.01   0.10  -0.32
    27   1     0.12  -0.23  -0.40    -0.03   0.00  -0.13    -0.09   0.13   0.24
    28   1     0.00  -0.01  -0.01     0.04   0.12  -0.01    -0.02   0.00  -0.01
    29   6    -0.01   0.03   0.02     0.22  -0.06  -0.10     0.06   0.00  -0.00
    30   1    -0.03   0.00   0.03    -0.00  -0.00  -0.09     0.00   0.02   0.00
    31   1     0.07   0.06   0.11     0.20  -0.01  -0.37     0.08   0.03  -0.03
    32   1    -0.11   0.09   0.02     0.44  -0.22  -0.09     0.10   0.01  -0.01
    33   1     0.02  -0.04  -0.05     0.23  -0.09   0.07     0.07  -0.03   0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --    287.8819               323.1799               348.5909
 Red. masses --      3.6294                 2.9641                 3.2217
 Frc consts  --      0.1772                 0.1824                 0.2307
 IR Inten    --      0.6678                 0.6833                 1.0830
 RamAct Fr= 1--      2.2433                 0.5009                 2.0794
  Dep-P Fr= 1--      0.0825                 0.7040                 0.7257
  Dep-U Fr= 1--      0.1523                 0.8263                 0.8410
 Alpha2 Fr= 1--      0.0410                 0.0004                 0.0009
 Beta2  Fr= 1--      0.0570                 0.0690                 0.2915
 AlphaG Fr= 1--      0.0139                 0.0010                 0.0039
 Gamma2 Fr= 1--      0.0605                -0.1012                 0.3967
 Delta2 Fr= 1--     -0.0434                -0.2931                -0.1619
 Raman1 Fr= 1--       8.973                  2.004                  8.318
 ROA1   Fr= 1--       4.421                -19.093                 32.908
 CID1   Fr= 1--       0.493                 -9.529                  3.956
 Raman2 Fr= 1--       0.684                  0.828                  3.498
 ROA2   Fr= 1--       1.800                 -0.083                 10.817
 CID2   Fr= 1--       2.633                 -0.101                  3.092
 Raman3 Fr= 1--       1.367                  1.656                  6.996
 ROA3   Fr= 1--       4.421                -19.093                 32.908
 CID3   Fr= 1--       3.234                -11.532                  4.704
 RC180  Fr= 1--      -0.695                  0.653                  0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.08     0.03   0.03  -0.08    -0.07   0.07   0.02
     2   6     0.01  -0.04  -0.05     0.02   0.04  -0.07    -0.05   0.18   0.00
     3   6    -0.04  -0.01  -0.07     0.07  -0.04  -0.04    -0.01  -0.15   0.03
     4   6    -0.07  -0.02  -0.04     0.07  -0.05  -0.03     0.02  -0.13  -0.00
     5   6    -0.06  -0.01  -0.05     0.06  -0.03  -0.05     0.06  -0.11   0.02
     6   6    -0.03  -0.03  -0.05     0.06   0.02  -0.08     0.00   0.08   0.03
     7   6     0.04   0.07   0.04    -0.00   0.03   0.15    -0.02   0.07  -0.07
     8   6     0.10   0.09   0.04    -0.05  -0.09   0.05    -0.04  -0.01  -0.08
     9   6     0.02   0.11   0.01     0.01  -0.08   0.01     0.15  -0.07   0.06
    10   6     0.19  -0.11   0.06    -0.12   0.08  -0.07    -0.02  -0.09   0.00
    11   6    -0.09  -0.02   0.08     0.04   0.04   0.07    -0.02  -0.00  -0.01
    12   6    -0.06   0.02   0.09     0.01   0.05   0.09    -0.03   0.05  -0.01
    13   8    -0.09   0.17   0.03    -0.11   0.10   0.03    -0.05   0.07  -0.02
    14   8     0.05  -0.06   0.01     0.01  -0.07   0.02    -0.06   0.07   0.01
    15   1    -0.04  -0.03  -0.07     0.04   0.06  -0.09    -0.14   0.08   0.05
    16   1    -0.01   0.01  -0.06     0.07  -0.06  -0.03    -0.02  -0.25   0.04
    17   1    -0.05   0.00  -0.06     0.06  -0.03  -0.05     0.13  -0.16   0.02
    18   1    -0.06  -0.04  -0.07     0.06   0.04  -0.08     0.04   0.12   0.04
    19   1     0.08   0.14   0.06     0.13   0.28   0.20    -0.08   0.04  -0.10
    20   1    -0.08   0.06   0.08    -0.06  -0.07   0.41     0.13   0.05  -0.07
    21   1     0.12   0.10   0.05     0.00  -0.15   0.07    -0.09   0.02  -0.10
    22   1     0.01   0.14   0.00     0.12  -0.07   0.05     0.08  -0.15   0.04
    23   1    -0.02   0.05  -0.03    -0.06  -0.09   0.07     0.35   0.17   0.11
    24   1    -0.01   0.17  -0.01     0.01  -0.09  -0.10     0.24  -0.31   0.21
    25   1     0.18  -0.05   0.06    -0.20  -0.01  -0.11     0.02  -0.04   0.02
    26   1     0.41  -0.17   0.22    -0.26   0.15  -0.25     0.07  -0.13   0.10
    27   1     0.08  -0.33  -0.04     0.03   0.29  -0.02    -0.09  -0.21  -0.04
    28   1    -0.17   0.03   0.08    -0.04   0.10   0.06    -0.06   0.00  -0.01
    29   6     0.02  -0.14  -0.02    -0.03  -0.04  -0.02     0.10  -0.02  -0.00
    30   1     0.11   0.02  -0.11    -0.08  -0.09  -0.08    -0.08   0.05   0.06
    31   1     0.12  -0.04  -0.11    -0.01  -0.02  -0.03     0.19   0.06  -0.04
    32   1    -0.03  -0.23   0.03    -0.14  -0.12   0.03     0.13   0.00  -0.02
    33   1     0.06  -0.27  -0.07    -0.03  -0.04  -0.16     0.14  -0.14   0.06
                     16                     17                     18
                      A                      A                      A
 Frequencies --    385.3789               411.0532               418.5925
 Red. masses --      2.6684                 3.0932                 2.8294
 Frc consts  --      0.2335                 0.3079                 0.2921
 IR Inten    --      0.3486                 3.2350                 0.0460
 RamAct Fr= 1--      0.7951                 4.1197                 0.1364
  Dep-P Fr= 1--      0.0933                 0.1486                 0.1734
  Dep-U Fr= 1--      0.1707                 0.2587                 0.2955
 Alpha2 Fr= 1--      0.0142                 0.0639                 0.0020
 Beta2  Fr= 1--      0.0226                 0.1776                 0.0067
 AlphaG Fr= 1--      0.0015                -0.0442                 0.0210
 Gamma2 Fr= 1--     -0.2818                 0.1021                -0.0142
 Delta2 Fr= 1--     -0.0613                 0.1947                 0.0025
 Raman1 Fr= 1--       3.180                 16.479                  0.546
 ROA1   Fr= 1--     -29.018                 16.034                 -1.285
 CID1   Fr= 1--      -9.124                  0.973                 -2.356
 Raman2 Fr= 1--       0.271                  2.132                  0.081
 ROA2   Fr= 1--      -6.274                  0.893                 -0.361
 CID2   Fr= 1--     -23.110                  0.419                 -4.483
 Raman3 Fr= 1--       0.543                  4.263                  0.161
 ROA3   Fr= 1--     -29.018                 16.034                 -1.285
 CID3   Fr= 1--     -53.446                  3.761                 -7.972
 RC180  Fr= 1--      -0.659                 -0.483                 -0.409
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.00   0.08     0.00   0.07  -0.08    -0.07   0.18  -0.06
     2   6     0.03   0.04   0.12     0.03   0.03  -0.06    -0.01  -0.00   0.02
     3   6    -0.06  -0.02  -0.09     0.03  -0.05   0.05     0.05  -0.18   0.07
     4   6    -0.00  -0.04  -0.10    -0.03  -0.08   0.08     0.01  -0.02  -0.01
     5   6     0.09  -0.00  -0.06    -0.05  -0.01   0.06    -0.04   0.17  -0.08
     6   6     0.07   0.07   0.08    -0.05   0.02  -0.03     0.06  -0.16   0.08
     7   6     0.07  -0.08  -0.09     0.08  -0.02   0.05     0.00  -0.05  -0.01
     8   6     0.07  -0.03  -0.06     0.12  -0.06  -0.00    -0.01   0.01   0.05
     9   6    -0.10  -0.04  -0.04    -0.09  -0.07  -0.02    -0.00   0.04  -0.02
    10   6     0.02   0.10   0.03     0.08   0.12   0.04    -0.01  -0.01  -0.01
    11   6    -0.03  -0.02   0.01    -0.06  -0.07  -0.00     0.01   0.01  -0.00
    12   6    -0.01   0.01   0.06    -0.06  -0.01  -0.09     0.01   0.01   0.01
    13   8    -0.06   0.07   0.03     0.03   0.01  -0.07    -0.01   0.00   0.01
    14   8     0.02  -0.04   0.03    -0.08   0.15  -0.01     0.00  -0.01   0.00
    15   1    -0.15  -0.04   0.15    -0.00   0.14  -0.12    -0.14   0.39  -0.14
    16   1    -0.13  -0.03  -0.14     0.10  -0.05   0.09     0.09  -0.38   0.14
    17   1     0.21  -0.01  -0.12    -0.07   0.01   0.06    -0.10   0.38  -0.17
    18   1     0.15   0.12   0.12    -0.12  -0.01  -0.07     0.13  -0.35   0.17
    19   1    -0.08  -0.35  -0.15     0.13   0.11   0.08     0.00  -0.20  -0.02
    20   1     0.24   0.00  -0.34     0.05  -0.06   0.18     0.03   0.00  -0.16
    21   1     0.04   0.00  -0.07     0.16  -0.08   0.01    -0.01   0.01   0.05
    22   1    -0.17  -0.13  -0.06    -0.14  -0.17  -0.03     0.01   0.14  -0.02
    23   1    -0.19  -0.15  -0.05    -0.24  -0.23  -0.03    -0.00  -0.01  -0.07
    24   1    -0.17   0.13   0.02    -0.20   0.18   0.02     0.00   0.04  -0.07
    25   1     0.13   0.17   0.08     0.15   0.19   0.07    -0.06  -0.05  -0.04
    26   1    -0.17   0.10   0.03    -0.15   0.14   0.01     0.04  -0.00  -0.04
    27   1     0.05   0.20   0.11     0.16   0.27   0.11     0.02  -0.01  -0.04
    28   1    -0.13   0.00   0.03     0.02  -0.13  -0.00    -0.01   0.02  -0.00
    29   6    -0.03  -0.02   0.01     0.05  -0.09   0.04     0.00   0.01  -0.01
    30   1     0.02  -0.02  -0.04     0.04   0.17   0.17    -0.02  -0.02  -0.02
    31   1    -0.02  -0.02   0.04     0.11  -0.02  -0.03     0.00   0.01   0.01
    32   1    -0.07  -0.02   0.02     0.13  -0.07   0.02    -0.01   0.02  -0.00
    33   1    -0.03  -0.03  -0.02     0.08  -0.19   0.15     0.00   0.02  -0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    424.6792               478.2506               511.3029
 Red. masses --      2.0767                 3.8604                 3.0577
 Frc consts  --      0.2207                 0.5202                 0.4710
 IR Inten    --      0.6577                11.4353                 1.6194
 RamAct Fr= 1--      0.4181                 0.8784                 0.5678
  Dep-P Fr= 1--      0.3189                 0.2293                 0.6099
  Dep-U Fr= 1--      0.4836                 0.3731                 0.7577
 Alpha2 Fr= 1--      0.0040                 0.0110                 0.0015
 Beta2  Fr= 1--      0.0337                 0.0546                 0.0717
 AlphaG Fr= 1--     -0.0142                -0.0017                -0.0025
 Gamma2 Fr= 1--     -0.0920                -0.1084                -0.0319
 Delta2 Fr= 1--     -0.0476                 0.1941                 0.1347
 Raman1 Fr= 1--       1.672                  3.514                  2.271
 ROA1   Fr= 1--     -10.355                 -4.198                  1.250
 CID1   Fr= 1--      -6.192                 -1.195                  0.551
 Raman2 Fr= 1--       0.404                  0.655                  0.860
 ROA2   Fr= 1--      -1.828                 -4.155                 -1.843
 CID2   Fr= 1--      -4.520                 -6.339                 -2.142
 Raman3 Fr= 1--       0.809                  1.311                  1.721
 ROA3   Fr= 1--     -10.355                 -4.198                  1.250
 CID3   Fr= 1--     -12.804                 -3.202                  0.727
 RC180  Fr= 1--      -0.033                 -0.254                  0.515
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.00    -0.10   0.06  -0.02     0.02  -0.04  -0.03
     2   6     0.00   0.02  -0.01    -0.12   0.00  -0.03     0.03   0.18  -0.08
     3   6     0.01   0.01  -0.01    -0.05  -0.06   0.06     0.01  -0.07   0.01
     4   6     0.02  -0.06   0.02     0.04  -0.09   0.05    -0.13   0.12  -0.03
     5   6     0.03  -0.07   0.02    -0.06  -0.12   0.02    -0.02  -0.04   0.08
     6   6    -0.02   0.08  -0.03    -0.13   0.06  -0.08    -0.01  -0.01   0.04
     7   6     0.03  -0.11   0.01    -0.06  -0.08   0.03     0.10   0.03   0.00
     8   6    -0.04   0.00   0.19     0.10  -0.02   0.02     0.01  -0.04   0.07
     9   6     0.01   0.11  -0.04    -0.03  -0.01  -0.01     0.00  -0.02  -0.01
    10   6    -0.03  -0.03  -0.04     0.13   0.04   0.04    -0.01   0.01  -0.01
    11   6     0.00  -0.02   0.01     0.08   0.13  -0.04    -0.13   0.03  -0.08
    12   6    -0.00   0.01  -0.02     0.11   0.07   0.06    -0.10  -0.04   0.03
    13   8    -0.01   0.02  -0.02    -0.02  -0.06   0.05     0.04  -0.03   0.08
    14   8    -0.04   0.05   0.00     0.06  -0.10  -0.01     0.06  -0.09  -0.03
    15   1     0.01  -0.01   0.01    -0.08   0.12  -0.07     0.05  -0.25   0.08
    16   1    -0.01   0.05  -0.03    -0.09  -0.06   0.03     0.15  -0.24   0.14
    17   1     0.04  -0.11   0.04    -0.13  -0.13   0.06     0.08  -0.25   0.15
    18   1    -0.04   0.15  -0.06    -0.15   0.15  -0.11    -0.01  -0.25   0.08
    19   1     0.09  -0.48   0.02    -0.07  -0.10   0.03     0.19  -0.06   0.03
    20   1     0.12   0.00  -0.32    -0.06  -0.06  -0.01     0.22   0.04  -0.03
    21   1    -0.01  -0.01   0.20     0.17  -0.03   0.04     0.00  -0.04   0.07
    22   1     0.04   0.42  -0.04    -0.08  -0.04  -0.03    -0.00   0.07  -0.01
    23   1     0.03  -0.04  -0.21    -0.12  -0.14  -0.05     0.01  -0.07  -0.07
    24   1     0.03   0.07  -0.20    -0.10   0.16   0.01     0.00  -0.01  -0.04
    25   1    -0.25  -0.15  -0.14     0.20   0.07   0.07    -0.11  -0.00  -0.06
    26   1     0.10   0.02  -0.16     0.07   0.04   0.06    -0.05   0.04  -0.08
    27   1     0.08   0.00  -0.13     0.11   0.06   0.08     0.09   0.10  -0.04
    28   1     0.01  -0.03   0.01     0.03   0.24  -0.06    -0.12   0.06  -0.09
    29   6     0.02  -0.03   0.01     0.06   0.18  -0.11    -0.00   0.09  -0.05
    30   1    -0.05   0.02   0.07    -0.27  -0.26  -0.21     0.40   0.19  -0.20
    31   1     0.04  -0.01  -0.01     0.07   0.18  -0.08     0.03   0.11  -0.02
    32   1     0.03  -0.04   0.01     0.04   0.20  -0.12     0.06   0.19  -0.10
    33   1     0.03  -0.06   0.02     0.06   0.17  -0.12     0.02   0.03   0.08
                     22                     23                     24
                      A                      A                      A
 Frequencies --    590.5269               617.6282               641.8112
 Red. masses --      2.0771                 1.7256                 3.4231
 Frc consts  --      0.4268                 0.3878                 0.8308
 IR Inten    --     47.1145                64.6213                21.7729
 RamAct Fr= 1--      1.1396                 0.7888                 3.3196
  Dep-P Fr= 1--      0.2178                 0.7441                 0.6342
  Dep-U Fr= 1--      0.3577                 0.8533                 0.7761
 Alpha2 Fr= 1--      0.0148                 0.0001                 0.0070
 Beta2  Fr= 1--      0.0679                 0.1122                 0.4294
 AlphaG Fr= 1--      0.0077                 0.0024                -0.0350
 Gamma2 Fr= 1--     -0.3469                -1.0866                -0.1372
 Delta2 Fr= 1--      0.2104                -0.5618                 0.1703
 Raman1 Fr= 1--       4.558                  3.155                 13.278
 ROA1   Fr= 1--     -26.572               -122.294                 -7.718
 CID1   Fr= 1--      -5.829                -38.759                 -0.581
 Raman2 Fr= 1--       0.815                  1.346                  5.153
 ROA2   Fr= 1--     -10.009                -21.584                 -4.654
 CID2   Fr= 1--     -12.278                -16.035                 -0.903
 Raman3 Fr= 1--       1.630                  2.692                 10.306
 ROA3   Fr= 1--     -26.572               -122.294                 -7.718
 CID3   Fr= 1--     -16.297                -45.425                 -0.749
 RC180  Fr= 1--      -0.285                  0.707                  0.552
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.03    -0.01   0.03   0.03    -0.08  -0.07  -0.07
     2   6     0.08  -0.12   0.05    -0.08   0.02  -0.02     0.01   0.00  -0.06
     3   6     0.01   0.00   0.00     0.01   0.00   0.05    -0.12   0.02   0.10
     4   6     0.02  -0.14   0.07     0.06   0.07  -0.02    -0.02   0.03   0.05
     5   6     0.03   0.02   0.05     0.03  -0.03  -0.04     0.07   0.08   0.10
     6   6     0.02   0.04   0.00     0.01  -0.00  -0.06     0.08  -0.02  -0.06
     7   6     0.02   0.01  -0.01    -0.08  -0.05   0.02     0.02   0.00  -0.02
     8   6    -0.02   0.02  -0.02     0.02   0.00  -0.00     0.00  -0.00   0.00
     9   6    -0.00   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.04  -0.01  -0.01     0.04   0.01   0.01    -0.00   0.00  -0.00
    11   6    -0.07  -0.01  -0.09     0.09  -0.01   0.00     0.03  -0.12  -0.15
    12   6    -0.08  -0.03   0.03    -0.03  -0.06  -0.00     0.02  -0.11   0.01
    13   8    -0.02   0.02   0.04    -0.03   0.04  -0.04    -0.05   0.14  -0.09
    14   8    -0.00  -0.05   0.00    -0.06  -0.02   0.05     0.06  -0.02   0.17
    15   1    -0.07   0.30  -0.14     0.08  -0.06   0.03    -0.01  -0.12  -0.08
    16   1    -0.02   0.28  -0.08    -0.01  -0.13   0.07    -0.04   0.04   0.14
    17   1    -0.03   0.27  -0.07     0.01  -0.15   0.04     0.03   0.04   0.15
    18   1    -0.09   0.30  -0.12     0.09  -0.06   0.00     0.03  -0.11  -0.08
    19   1     0.01   0.06  -0.01    -0.10  -0.06   0.01     0.04  -0.03  -0.01
    20   1    -0.05  -0.00   0.04    -0.08  -0.03  -0.02     0.03   0.01  -0.04
    21   1    -0.06   0.03  -0.03     0.06  -0.01   0.02    -0.01   0.00  -0.00
    22   1     0.01  -0.00   0.01    -0.01  -0.01  -0.00     0.00   0.00  -0.00
    23   1     0.02   0.06   0.03    -0.02  -0.03  -0.01     0.00  -0.01  -0.01
    24   1     0.01  -0.02   0.00    -0.02   0.04   0.00     0.00  -0.00  -0.00
    25   1    -0.04  -0.01  -0.01     0.09   0.01   0.03    -0.01   0.00  -0.01
    26   1    -0.03  -0.02  -0.00     0.05  -0.00   0.03    -0.01   0.00  -0.01
    27   1    -0.05  -0.03  -0.01     0.00  -0.02   0.03     0.01   0.01  -0.00
    28   1    -0.05   0.06  -0.12     0.13  -0.03  -0.00     0.07  -0.05  -0.18
    29   6     0.02   0.07  -0.06     0.00   0.01  -0.00     0.01   0.04  -0.05
    30   1     0.51   0.31  -0.05     0.72   0.44   0.23    -0.42  -0.40   0.36
    31   1     0.07   0.10   0.02    -0.08  -0.07   0.06    -0.05  -0.07   0.20
    32   1     0.10   0.25  -0.14    -0.06   0.00   0.01     0.04   0.32  -0.15
    33   1     0.04   0.01   0.11    -0.04   0.13  -0.08    -0.02   0.13   0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.4485               715.1362               762.7542
 Red. masses --      5.2377                 3.3623                 3.7028
 Frc consts  --      1.3665                 1.0131                 1.2693
 IR Inten    --      6.7686                31.7334                 5.1818
 RamAct Fr= 1--      4.6780                 1.7631                13.4355
  Dep-P Fr= 1--      0.5458                 0.1127                 0.0329
  Dep-U Fr= 1--      0.7062                 0.2025                 0.0637
 Alpha2 Fr= 1--      0.0183                 0.0299                 0.2764
 Beta2  Fr= 1--      0.5506                 0.0595                 0.1427
 AlphaG Fr= 1--     -0.0129                 0.0308                 0.1047
 Gamma2 Fr= 1--     -0.1396                 1.0424                 0.0109
 Delta2 Fr= 1--     -0.4340                 0.0731                -0.3555
 Raman1 Fr= 1--      18.712                  7.052                 53.742
 ROA1   Fr= 1--     -27.285                102.410                -10.328
 CID1   Fr= 1--      -1.458                 14.521                 -0.192
 Raman2 Fr= 1--       6.607                  0.714                  1.712
 ROA2   Fr= 1--       0.122                 24.433                  3.106
 CID2   Fr= 1--       0.018                 34.211                  1.814
 Raman3 Fr= 1--      13.214                  1.428                  3.425
 ROA3   Fr= 1--     -27.285                102.410                -10.328
 CID3   Fr= 1--      -2.065                 71.696                 -3.016
 RC180  Fr= 1--       0.412                 -0.595                 -0.873
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19  -0.10  -0.13    -0.07  -0.13  -0.03    -0.07   0.07  -0.11
     2   6    -0.01  -0.04  -0.07     0.04   0.08  -0.03     0.13  -0.18   0.08
     3   6    -0.20  -0.01   0.14    -0.12   0.02  -0.06     0.00  -0.14  -0.02
     4   6     0.01   0.04   0.07    -0.02  -0.10   0.04    -0.11   0.18  -0.08
     5   6     0.21   0.10   0.11    -0.09   0.05   0.02     0.01  -0.08   0.10
     6   6     0.23   0.01  -0.17    -0.05  -0.07   0.08    -0.05   0.14   0.03
     7   6    -0.02  -0.03  -0.01     0.14   0.11  -0.04     0.09  -0.04   0.00
     8   6    -0.00   0.01  -0.02     0.00  -0.02   0.04     0.00   0.02  -0.06
     9   6    -0.00   0.00  -0.00     0.00  -0.03  -0.00    -0.00   0.07   0.01
    10   6     0.01   0.00  -0.00    -0.02  -0.00   0.00    -0.08  -0.03  -0.02
    11   6    -0.02   0.08   0.11     0.11   0.05   0.07     0.04   0.05   0.07
    12   6    -0.02   0.12   0.01     0.20   0.06  -0.01     0.08  -0.02  -0.03
    13   8     0.04  -0.10   0.10    -0.05  -0.03  -0.08     0.00  -0.01  -0.07
    14   8    -0.03   0.02  -0.14    -0.08  -0.04   0.04    -0.01  -0.02   0.05
    15   1    -0.11  -0.09  -0.18    -0.18  -0.14   0.03    -0.22   0.22  -0.12
    16   1    -0.15  -0.01   0.17    -0.16   0.15  -0.11     0.11  -0.34   0.10
    17   1     0.13   0.09   0.15    -0.14   0.21  -0.05     0.15  -0.32   0.16
    18   1     0.19   0.00  -0.19    -0.14  -0.12   0.03    -0.17   0.24  -0.06
    19   1    -0.05  -0.13  -0.03     0.19   0.04  -0.02     0.06   0.09  -0.00
    20   1     0.01   0.01  -0.12     0.22   0.11  -0.05    -0.02  -0.08   0.13
    21   1     0.01   0.01  -0.01    -0.07   0.00   0.01    -0.04   0.04  -0.07
    22   1    -0.00  -0.02  -0.00     0.01   0.02  -0.00    -0.00  -0.00   0.01
    23   1    -0.01   0.01   0.01     0.02  -0.03  -0.03    -0.00   0.12   0.06
    24   1    -0.00   0.00   0.00     0.01  -0.06  -0.02    -0.00   0.07   0.05
    25   1     0.04   0.01   0.01    -0.13  -0.00  -0.05    -0.03  -0.01   0.00
    26   1     0.01  -0.00   0.02    -0.06   0.02  -0.06    -0.10  -0.04   0.01
    27   1    -0.02  -0.02   0.01     0.10   0.08  -0.04    -0.11  -0.05   0.00
    28   1    -0.04   0.03   0.13     0.05   0.06   0.08     0.00  -0.01   0.10
    29   6    -0.01  -0.05   0.07     0.03   0.03  -0.01     0.01   0.02   0.01
    30   1     0.14   0.22  -0.38     0.46   0.25   0.26     0.09  -0.02   0.23
    31   1     0.03   0.02  -0.13    -0.01   0.02  -0.08    -0.05   0.01  -0.11
    32   1    -0.03  -0.28   0.15    -0.04  -0.11   0.06    -0.08  -0.18   0.10
    33   1     0.01  -0.12  -0.04     0.01   0.09  -0.17    -0.01   0.09  -0.18
                     28                     29                     30
                      A                      A                      A
 Frequencies --    798.3050               827.4627               838.5757
 Red. masses --      2.3871                 3.2115                 2.7485
 Frc consts  --      0.8963                 1.2956                 1.1388
 IR Inten    --     17.1934                 9.4053                 0.7559
 RamAct Fr= 1--      8.0081                 6.8405                23.4949
  Dep-P Fr= 1--      0.0758                 0.1791                 0.0406
  Dep-U Fr= 1--      0.1410                 0.3038                 0.0780
 Alpha2 Fr= 1--      0.1487                 0.0981                 0.4746
 Beta2  Fr= 1--      0.1882                 0.3464                 0.3053
 AlphaG Fr= 1--      0.0853                 0.0202                 0.1307
 Gamma2 Fr= 1--      2.1374                -1.8724                 1.0773
 Delta2 Fr= 1--      1.4277                -0.9754                 0.1506
 Raman1 Fr= 1--      32.033                 27.362                 93.980
 ROA1   Fr= 1--     250.874               -210.959                108.241
 CID1   Fr= 1--       7.832                 -7.710                  1.152
 Raman2 Fr= 1--       2.258                  4.157                  3.664
 ROA2   Fr= 1--      39.876                -37.134                 24.650
 CID2   Fr= 1--      17.659                 -8.934                  6.728
 Raman3 Fr= 1--       4.516                  8.313                  7.328
 ROA3   Fr= 1--     250.874               -210.959                108.241
 CID3   Fr= 1--      55.549                -25.377                 14.771
 RC180  Fr= 1--      -0.718                 -0.392                 -0.844
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.04     0.05   0.02  -0.01    -0.03   0.03   0.07
     2   6     0.00   0.02  -0.01    -0.00  -0.06   0.01     0.02  -0.08   0.03
     3   6     0.02   0.05  -0.05     0.06  -0.01   0.00    -0.05   0.00   0.09
     4   6    -0.02  -0.08   0.03    -0.06   0.08  -0.04     0.03   0.06  -0.03
     5   6     0.00   0.09   0.03     0.04   0.00   0.05    -0.05  -0.02  -0.06
     6   6    -0.00   0.05   0.03     0.03   0.02   0.01    -0.06   0.01  -0.05
     7   6    -0.03  -0.14   0.05    -0.14   0.10  -0.04     0.12   0.06  -0.06
     8   6     0.01   0.01  -0.08    -0.05   0.02   0.10     0.01  -0.01   0.02
     9   6     0.01   0.10   0.02    -0.02  -0.17  -0.04     0.00  -0.00   0.01
    10   6    -0.05  -0.02  -0.03     0.11   0.05   0.04    -0.02  -0.02   0.01
    11   6    -0.05  -0.05  -0.06    -0.10  -0.02  -0.06     0.11  -0.10  -0.12
    12   6     0.15   0.11   0.03     0.20   0.10   0.01     0.02   0.10   0.06
    13   8    -0.05  -0.02  -0.00    -0.04  -0.03  -0.04    -0.04   0.01   0.10
    14   8    -0.04  -0.02  -0.01    -0.03  -0.04   0.02    -0.03   0.04  -0.08
    15   1     0.14  -0.34   0.11     0.05   0.17  -0.10    -0.04   0.15   0.01
    16   1     0.17  -0.15   0.09     0.14  -0.01   0.05    -0.12  -0.09   0.07
    17   1     0.15  -0.23   0.14     0.09  -0.01   0.03    -0.05  -0.32   0.10
    18   1     0.10  -0.38   0.19    -0.03   0.19  -0.06    -0.03  -0.08  -0.01
    19   1    -0.04   0.01   0.05    -0.16  -0.07  -0.05     0.16   0.19  -0.04
    20   1    -0.06  -0.18   0.16    -0.22   0.18  -0.22     0.06   0.01   0.08
    21   1     0.10  -0.01  -0.04    -0.09   0.02   0.08    -0.12   0.05  -0.03
    22   1    -0.01  -0.01   0.02     0.03  -0.01  -0.02    -0.01   0.05   0.00
    23   1    -0.03   0.13   0.08     0.04  -0.18  -0.11     0.01  -0.03  -0.03
    24   1    -0.02   0.16   0.09     0.03  -0.29  -0.15    -0.00   0.01  -0.01
    25   1     0.13   0.02   0.05    -0.06  -0.03  -0.04    -0.16  -0.02  -0.05
    26   1    -0.06  -0.06   0.07     0.25   0.09  -0.05    -0.06   0.01  -0.06
    27   1    -0.21  -0.11   0.06     0.21   0.06  -0.06     0.12   0.07  -0.05
    28   1    -0.12   0.09  -0.09    -0.22   0.13  -0.09     0.10   0.03  -0.17
    29   6    -0.02  -0.03   0.00    -0.04  -0.06   0.03     0.02  -0.10   0.02
    30   1     0.12   0.08  -0.02     0.11   0.03   0.09    -0.00   0.13  -0.30
    31   1     0.06   0.01   0.08     0.07   0.02   0.06    -0.11  -0.30   0.42
    32   1     0.07   0.15  -0.09     0.08   0.11  -0.06    -0.03   0.24  -0.09
    33   1     0.02  -0.12   0.19     0.01  -0.20   0.24    -0.05   0.11   0.12
                     31                     32                     33
                      A                      A                      A
 Frequencies --    853.5216               855.2642               875.2763
 Red. masses --      1.3363                 2.8232                 1.9520
 Frc consts  --      0.5736                 1.2167                 0.8811
 IR Inten    --      0.7533                 3.2762                16.2860
 RamAct Fr= 1--      1.2152                 9.8500                 2.2085
  Dep-P Fr= 1--      0.2654                 0.2287                 0.1866
  Dep-U Fr= 1--      0.4195                 0.3722                 0.3145
 Alpha2 Fr= 1--      0.0138                 0.1238                 0.0311
 Beta2  Fr= 1--      0.0850                 0.6111                 0.1158
 AlphaG Fr= 1--     -0.0273                -0.1096                 0.0236
 Gamma2 Fr= 1--     -0.4304                -0.1772                 1.6332
 Delta2 Fr= 1--     -0.5030                -0.7919                 1.5656
 Raman1 Fr= 1--       4.861                 39.400                  8.834
 ROA1   Fr= 1--     -57.417                -42.352                206.887
 CID1   Fr= 1--     -11.812                 -1.075                 23.420
 Raman2 Fr= 1--       1.020                  7.333                  1.389
 ROA2   Fr= 1--      -6.306                  2.082                 26.672
 CID2   Fr= 1--      -6.185                  0.284                 19.200
 Raman3 Fr= 1--       2.039                 14.666                  2.778
 ROA3   Fr= 1--     -57.417                -42.352                206.887
 CID3   Fr= 1--     -28.157                 -2.888                 74.467
 RC180  Fr= 1--      -0.161                 -0.256                 -0.371
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.07  -0.01    -0.03  -0.00  -0.15     0.03  -0.10  -0.02
     2   6    -0.01   0.01  -0.00     0.04  -0.03   0.02    -0.03   0.11  -0.04
     3   6    -0.02   0.06   0.00     0.02   0.01  -0.15     0.05  -0.08  -0.02
     4   6    -0.00   0.03  -0.01    -0.01  -0.05   0.02    -0.04   0.09  -0.04
     5   6     0.02  -0.09   0.02     0.00   0.06   0.11     0.02  -0.02   0.07
     6   6     0.02  -0.08   0.01    -0.04   0.04   0.12    -0.01  -0.03   0.06
     7   6     0.02  -0.01   0.01    -0.09   0.02   0.01    -0.05  -0.05   0.06
     8   6     0.01  -0.01  -0.02    -0.04   0.03   0.03     0.02  -0.02  -0.03
     9   6     0.00   0.03   0.01    -0.02  -0.08  -0.03     0.01   0.05   0.01
    10   6    -0.02  -0.01  -0.01     0.05   0.04   0.01    -0.01  -0.01  -0.03
    11   6    -0.01  -0.01  -0.03     0.16  -0.05  -0.01     0.06  -0.02  -0.05
    12   6     0.03   0.02   0.01    -0.10  -0.01   0.03     0.03   0.03   0.02
    13   8    -0.01  -0.00   0.00     0.00   0.03   0.07    -0.02   0.00   0.02
    14   8    -0.01  -0.00  -0.00    -0.00   0.05  -0.05    -0.01   0.01  -0.02
    15   1     0.14  -0.36   0.17    -0.01  -0.41   0.07    -0.16   0.43  -0.24
    16   1     0.09  -0.35   0.17     0.23  -0.32   0.05    -0.05   0.43  -0.21
    17   1    -0.19   0.49  -0.21     0.10   0.03   0.08    -0.05   0.28  -0.06
    18   1    -0.14   0.47  -0.21    -0.13  -0.01   0.08    -0.13   0.20  -0.06
    19   1     0.03  -0.02   0.01    -0.14  -0.10  -0.00    -0.05  -0.16   0.05
    20   1     0.06  -0.01   0.01    -0.16   0.08  -0.13     0.07  -0.04  -0.02
    21   1     0.04  -0.02  -0.00    -0.01   0.00   0.04     0.15  -0.07   0.02
    22   1    -0.01  -0.00   0.00     0.03  -0.04  -0.01    -0.01  -0.03   0.00
    23   1    -0.01   0.03   0.02     0.02  -0.04  -0.02    -0.02   0.06   0.05
    24   1    -0.00   0.05   0.02     0.02  -0.17  -0.07    -0.01   0.10   0.06
    25   1     0.02   0.01   0.01     0.02  -0.02  -0.00     0.16   0.04   0.05
    26   1    -0.06  -0.02   0.01     0.16   0.04  -0.00    -0.06  -0.04   0.07
    27   1    -0.03  -0.01   0.01     0.03  -0.01  -0.01    -0.14  -0.05   0.06
    28   1    -0.02   0.02  -0.03     0.25  -0.10  -0.01     0.06   0.03  -0.06
    29   6    -0.01  -0.02   0.01     0.06   0.01  -0.02     0.02  -0.06   0.02
    30   1     0.01   0.01  -0.01    -0.05   0.06  -0.19     0.01   0.04  -0.08
    31   1    -0.00  -0.03   0.06    -0.13  -0.19   0.17    -0.08  -0.18   0.21
    32   1     0.00   0.04  -0.01    -0.10   0.04   0.00    -0.05   0.07  -0.01
    33   1    -0.01  -0.02   0.06    -0.03   0.28  -0.20    -0.04   0.10  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.5048               936.6433               953.8744
 Red. masses --      1.5127                 1.1976                 1.6482
 Frc consts  --      0.7179                 0.6190                 0.8836
 IR Inten    --      1.9102                 1.8660                 0.3741
 RamAct Fr= 1--      2.2902                 1.2150                 5.2227
  Dep-P Fr= 1--      0.7332                 0.5728                 0.6978
  Dep-U Fr= 1--      0.8461                 0.7284                 0.8220
 Alpha2 Fr= 1--      0.0007                 0.0041                 0.0048
 Beta2  Fr= 1--      0.3229                 0.1475                 0.7155
 AlphaG Fr= 1--     -0.0035                -0.0206                 0.0059
 Gamma2 Fr= 1--      0.8591                 0.3140                 1.5894
 Delta2 Fr= 1--      0.2651                 0.7325                -0.4814
 Raman1 Fr= 1--       9.161                  4.860                 20.891
 ROA1   Fr= 1--      90.963                 53.590                137.175
 CID1   Fr= 1--       9.930                 11.027                  6.566
 Raman2 Fr= 1--       3.875                  1.770                  8.586
 ROA2   Fr= 1--      18.498                  1.677                 41.996
 CID2   Fr= 1--       4.773                  0.947                  4.891
 Raman3 Fr= 1--       7.751                  3.540                 17.172
 ROA3   Fr= 1--      90.963                 53.590                137.175
 CID3   Fr= 1--      11.736                 15.139                  7.988
 RC180  Fr= 1--       0.692                  0.457                  0.644
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.02
     2   6    -0.02   0.03  -0.03     0.01  -0.01   0.00     0.02   0.00  -0.00
     3   6    -0.00  -0.01  -0.02    -0.00   0.00   0.01    -0.01  -0.01   0.02
     4   6    -0.01  -0.00  -0.01     0.00  -0.00   0.00    -0.00   0.02  -0.01
     5   6     0.04   0.01   0.04    -0.01   0.00  -0.01     0.02  -0.10   0.02
     6   6     0.01   0.01   0.05     0.00  -0.00  -0.01    -0.03   0.08  -0.03
     7   6    -0.03  -0.09  -0.14     0.02   0.00   0.01     0.07  -0.08   0.03
     8   6     0.00  -0.04   0.02    -0.04  -0.01  -0.01    -0.09   0.06  -0.02
     9   6     0.01   0.02   0.06    -0.07  -0.01   0.04    -0.04  -0.04  -0.04
    10   6     0.03   0.00   0.02     0.05  -0.02  -0.06     0.04   0.08   0.00
    11   6     0.01   0.00   0.00     0.00  -0.00   0.00     0.00   0.01  -0.01
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    13   8     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.04   0.01   0.02    -0.00  -0.00   0.01    -0.01  -0.01   0.03
    16   1    -0.03   0.02  -0.04    -0.01  -0.01   0.01    -0.06   0.05  -0.02
    17   1     0.06   0.15  -0.05    -0.00  -0.05   0.01    -0.17   0.48  -0.21
    18   1     0.00   0.05   0.04    -0.01   0.02  -0.02     0.14  -0.47   0.19
    19   1    -0.02   0.50  -0.12     0.03  -0.02   0.02     0.16   0.02   0.06
    20   1    -0.17  -0.28   0.40     0.05  -0.00   0.02     0.04  -0.11   0.12
    21   1    -0.20   0.22  -0.05     0.18   0.29   0.08    -0.14   0.04  -0.04
    22   1    -0.06   0.35   0.02     0.15   0.41   0.10     0.06  -0.09  -0.00
    23   1     0.00  -0.25  -0.21     0.16   0.10  -0.09     0.04   0.14   0.06
    24   1    -0.03   0.12  -0.10     0.09  -0.40  -0.27     0.04  -0.23  -0.05
    25   1    -0.10  -0.02  -0.04     0.38   0.24   0.10     0.04  -0.08  -0.00
    26   1     0.05   0.03  -0.04    -0.32  -0.09   0.13     0.37   0.08   0.01
    27   1     0.14   0.04  -0.05    -0.05   0.08   0.15    -0.11  -0.13  -0.04
    28   1    -0.01  -0.02   0.01     0.00   0.00   0.00    -0.00   0.01  -0.01
    29   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    30   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    31   1    -0.01  -0.01  -0.01     0.00   0.00  -0.00    -0.01  -0.03   0.03
    32   1    -0.02  -0.03   0.02     0.00   0.00  -0.00    -0.01  -0.00   0.01
    33   1    -0.00   0.02  -0.03     0.00  -0.00   0.00    -0.01   0.01  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    962.2554               972.1447               977.0186
 Red. masses --      1.5792                 1.4898                 1.3832
 Frc consts  --      0.8615                 0.8295                 0.7779
 IR Inten    --      0.2341                 0.0678                 0.2151
 RamAct Fr= 1--      2.0587                 2.7432                 0.4822
  Dep-P Fr= 1--      0.6609                 0.6355                 0.7220
  Dep-U Fr= 1--      0.7959                 0.7771                 0.8386
 Alpha2 Fr= 1--      0.0033                 0.0057                 0.0002
 Beta2  Fr= 1--      0.2731                 0.3553                 0.0674
 AlphaG Fr= 1--     -0.0504                -0.0025                -0.0007
 Gamma2 Fr= 1--      0.0973                 0.3351                 0.4844
 Delta2 Fr= 1--     -0.0250                 0.3105                -0.0136
 Raman1 Fr= 1--       8.235                 10.973                  1.929
 ROA1   Fr= 1--       8.543                 42.103                 46.070
 CID1   Fr= 1--       1.037                  3.837                 23.883
 Raman2 Fr= 1--       3.277                  4.264                  0.809
 ROA2   Fr= 1--       2.535                  5.558                 11.734
 CID2   Fr= 1--       0.774                  1.304                 14.508
 Raman3 Fr= 1--       6.554                  8.527                  1.618
 ROA3   Fr= 1--       8.543                 42.103                 46.070
 CID3   Fr= 1--       1.304                  4.937                 28.480
 RC180  Fr= 1--       0.592                  0.554                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.01    -0.00   0.01  -0.01    -0.03   0.10  -0.05
     2   6     0.00   0.03  -0.02    -0.01   0.00  -0.00     0.01  -0.02   0.01
     3   6    -0.01  -0.03   0.03     0.01  -0.02  -0.00     0.03  -0.11   0.04
     4   6     0.00  -0.01  -0.00    -0.00   0.00  -0.00     0.00   0.02  -0.01
     5   6    -0.03   0.07  -0.04     0.01   0.01   0.01     0.00  -0.01   0.00
     6   6     0.03  -0.09   0.04     0.00  -0.01   0.01    -0.01   0.01   0.00
     7   6     0.05  -0.09   0.02    -0.01  -0.02  -0.01    -0.01   0.03  -0.01
     8   6    -0.08   0.05  -0.02    -0.06  -0.08  -0.03     0.03   0.01   0.01
     9   6    -0.03  -0.03  -0.03    -0.06   0.11  -0.03     0.01  -0.01   0.01
    10   6     0.03   0.09   0.00     0.11  -0.04   0.05    -0.02  -0.02  -0.00
    11   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.02  -0.01
    12   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.02  -0.10   0.07     0.03  -0.08   0.03     0.18  -0.58   0.24
    16   1    -0.08   0.15  -0.06    -0.02   0.09  -0.05    -0.20   0.62  -0.28
    17   1     0.13  -0.42   0.15     0.03  -0.02   0.01    -0.01   0.05  -0.02
    18   1    -0.16   0.51  -0.21    -0.01   0.05  -0.01     0.02  -0.07   0.04
    19   1     0.16   0.03   0.06    -0.03   0.00  -0.01    -0.04   0.01  -0.02
    20   1     0.07  -0.14   0.16    -0.02  -0.04   0.03    -0.04   0.05  -0.05
    21   1    -0.12   0.04  -0.04    -0.21  -0.24  -0.09     0.05   0.04   0.02
    22   1     0.02  -0.07  -0.01     0.11  -0.13   0.05    -0.02   0.04  -0.00
    23   1     0.01   0.07   0.04     0.06   0.49   0.26    -0.01  -0.08  -0.05
    24   1     0.01  -0.13  -0.03     0.06  -0.19   0.09    -0.01   0.04  -0.01
    25   1     0.05  -0.10   0.00    -0.17   0.08  -0.07    -0.01   0.01   0.00
    26   1     0.39   0.07   0.02    -0.16   0.05  -0.14    -0.07  -0.02   0.01
    27   1    -0.17  -0.16  -0.04     0.51   0.28  -0.05    -0.01   0.01   0.01
    28   1    -0.01  -0.01   0.01     0.00   0.01  -0.00     0.01   0.07  -0.03
    29   6     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.02   0.01
    30   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    31   1     0.00   0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.03   0.05
    32   1     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00   0.02  -0.00
    33   1     0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.01  -0.01   0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.2594              1046.1014              1084.3046
 Red. masses --      1.9160                 2.8189                 2.1112
 Frc consts  --      1.1613                 1.8175                 1.4625
 IR Inten    --      2.1426                 4.4598                57.3510
 RamAct Fr= 1--     10.6655                 0.0249                 2.9062
  Dep-P Fr= 1--      0.2601                 0.6246                 0.5919
  Dep-U Fr= 1--      0.4128                 0.7689                 0.7436
 Alpha2 Fr= 1--      0.1229                 0.0001                 0.0086
 Beta2  Fr= 1--      0.7337                 0.0032                 0.3602
 AlphaG Fr= 1--      0.0485                 0.0001                 0.0282
 Gamma2 Fr= 1--     -0.2249                -0.1051                -1.0840
 Delta2 Fr= 1--     -1.5909                 0.1100                 0.4380
 Raman1 Fr= 1--      42.662                  0.100                 11.625
 ROA1   Fr= 1--     -72.497                 -6.574                -90.048
 CID1   Fr= 1--      -1.699                -66.046                 -7.746
 Raman2 Fr= 1--       8.805                  0.038                  4.322
 ROA2   Fr= 1--       7.331                 -3.403                -29.520
 CID2   Fr= 1--       0.833                -88.932                 -6.830
 Raman3 Fr= 1--      17.610                  0.077                  8.644
 ROA3   Fr= 1--     -72.497                 -6.574                -90.048
 CID3   Fr= 1--      -4.117                -85.897                -10.417
 RC180  Fr= 1--      -0.174                  0.538                  0.487
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.05    -0.01  -0.08  -0.18    -0.01  -0.01  -0.02
     2   6    -0.00   0.01   0.02     0.03   0.01  -0.00     0.01   0.01   0.04
     3   6    -0.01   0.01  -0.05    -0.04   0.07   0.19     0.02  -0.00  -0.00
     4   6     0.07   0.01   0.03     0.04   0.01  -0.01    -0.05   0.01   0.03
     5   6    -0.00   0.00  -0.02    -0.01  -0.08  -0.17    -0.02  -0.03  -0.04
     6   6    -0.03   0.00   0.04    -0.05   0.06   0.19     0.05   0.00  -0.04
     7   6     0.01  -0.01   0.00    -0.01  -0.00   0.00    -0.00   0.00   0.03
     8   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.01  -0.01  -0.04
     9   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.03
    10   6     0.00   0.01   0.00     0.00  -0.00   0.00     0.01   0.01   0.02
    11   6     0.04   0.18  -0.00    -0.01  -0.02  -0.01    -0.05  -0.05   0.19
    12   6    -0.06  -0.05  -0.03     0.01   0.00   0.01     0.04  -0.07   0.04
    13   8     0.03  -0.00  -0.03    -0.00   0.00   0.01     0.01  -0.01  -0.00
    14   8     0.02  -0.01   0.02    -0.00   0.00  -0.00    -0.02   0.04  -0.09
    15   1    -0.13   0.01  -0.04     0.30  -0.05  -0.36    -0.06  -0.02   0.01
    16   1     0.02  -0.16   0.00     0.21   0.20   0.33     0.16   0.10   0.07
    17   1    -0.00  -0.06   0.02     0.28  -0.04  -0.34    -0.09  -0.01  -0.02
    18   1    -0.01   0.03   0.04     0.20   0.20   0.33     0.19   0.06   0.03
    19   1    -0.03   0.01  -0.01    -0.06   0.00  -0.01    -0.20  -0.03  -0.04
    20   1     0.05  -0.02   0.03    -0.03  -0.00  -0.00     0.19  -0.02   0.02
    21   1    -0.04   0.03  -0.02    -0.00  -0.00  -0.00    -0.12   0.06  -0.07
    22   1    -0.00   0.02   0.00    -0.00   0.01   0.00    -0.02   0.10   0.01
    23   1     0.00  -0.01  -0.01    -0.00  -0.01  -0.00     0.01  -0.07  -0.05
    24   1     0.00  -0.00  -0.01    -0.00   0.01   0.00    -0.01   0.04  -0.03
    25   1    -0.01  -0.01  -0.00    -0.01   0.00  -0.00    -0.05  -0.02  -0.02
    26   1     0.03   0.01  -0.01    -0.00   0.00  -0.00     0.05   0.02  -0.03
    27   1     0.00  -0.01  -0.01     0.01   0.01  -0.00     0.05   0.00  -0.03
    28   1     0.24   0.56  -0.20    -0.07  -0.10   0.03    -0.16   0.29   0.09
    29   6    -0.08  -0.12   0.04    -0.00   0.02   0.01     0.05  -0.01  -0.13
    30   1     0.02  -0.03   0.07    -0.00   0.00  -0.01    -0.01  -0.07   0.29
    31   1     0.11  -0.02   0.22     0.00   0.04  -0.07    -0.03  -0.16   0.31
    32   1     0.13   0.22  -0.12     0.00  -0.06   0.03    -0.03   0.44  -0.27
    33   1    -0.02  -0.28   0.47     0.01  -0.02  -0.04    -0.04   0.27   0.05
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1097.0867              1106.5628              1138.8393
 Red. masses --      1.5807                 1.8056                 2.1587
 Frc consts  --      1.1210                 1.3026                 1.6496
 IR Inten    --      3.6718                52.0604                 6.6869
 RamAct Fr= 1--      1.9514                 4.6344                15.9819
  Dep-P Fr= 1--      0.1400                 0.3583                 0.4578
  Dep-U Fr= 1--      0.2456                 0.5275                 0.6280
 Alpha2 Fr= 1--      0.0309                 0.0396                 0.0949
 Beta2  Fr= 1--      0.0799                 0.4075                 1.6728
 AlphaG Fr= 1--     -0.0151                 0.0423                 0.1169
 Gamma2 Fr= 1--     -1.1708                 1.5329                -1.2034
 Delta2 Fr= 1--     -0.0374                 1.2237                -0.8227
 Raman1 Fr= 1--       7.806                 18.538                 63.928
 ROA1   Fr= 1--    -113.595                186.319               -141.850
 CID1   Fr= 1--     -14.553                 10.051                 -2.219
 Raman2 Fr= 1--       0.959                  4.889                 20.074
 ROA2   Fr= 1--     -27.801                 27.000                -22.299
 CID2   Fr= 1--     -29.000                  5.522                 -1.111
 Raman3 Fr= 1--       1.917                  9.779                 40.148
 ROA3   Fr= 1--    -113.595                186.319               -141.850
 CID3   Fr= 1--     -59.247                 19.053                 -3.533
 RC180  Fr= 1--      -0.509                  0.055                  0.256
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.04     0.01  -0.00  -0.03    -0.02  -0.02  -0.01
     2   6     0.01  -0.01  -0.05     0.01   0.00   0.05    -0.04   0.05  -0.00
     3   6    -0.03   0.02   0.03     0.02   0.01  -0.00     0.03   0.00  -0.01
     4   6    -0.03  -0.06  -0.02    -0.03  -0.04   0.03    -0.01   0.00   0.02
     5   6     0.01   0.02   0.01    -0.03  -0.01  -0.02    -0.02  -0.01  -0.01
     6   6     0.00   0.01   0.02     0.02  -0.01  -0.05     0.03  -0.01  -0.01
     7   6    -0.01  -0.01  -0.05    -0.00   0.02   0.07     0.03  -0.09   0.04
     8   6     0.02   0.02   0.05    -0.03  -0.03  -0.08     0.14   0.19  -0.02
     9   6    -0.01  -0.00  -0.04     0.01   0.00   0.06    -0.05  -0.07  -0.06
    10   6    -0.01  -0.01  -0.02     0.02   0.02   0.03    -0.07  -0.08   0.08
    11   6    -0.06   0.10  -0.01    -0.04   0.08  -0.10    -0.01  -0.00  -0.00
    12   6    -0.02  -0.02  -0.02    -0.03   0.05  -0.04    -0.01   0.02  -0.01
    13   8     0.02  -0.01  -0.03     0.01  -0.01  -0.03     0.00  -0.00  -0.01
    14   8     0.01  -0.01   0.01     0.02  -0.03   0.07     0.00  -0.01   0.02
    15   1     0.13   0.04  -0.02     0.01  -0.02  -0.02    -0.14   0.02   0.03
    16   1    -0.07  -0.06   0.03     0.18   0.06   0.09     0.16   0.08   0.05
    17   1     0.18  -0.02  -0.06    -0.15  -0.06   0.07    -0.14  -0.02   0.06
    18   1    -0.03  -0.00   0.00     0.07  -0.01  -0.02     0.17   0.14   0.05
    19   1     0.25   0.05   0.05    -0.38  -0.10  -0.06    -0.11   0.07  -0.01
    20   1    -0.30   0.01  -0.02     0.42  -0.00   0.01    -0.22  -0.04  -0.00
    21   1     0.16  -0.08   0.10    -0.22   0.09  -0.15     0.11   0.48  -0.02
    22   1     0.03  -0.15  -0.02    -0.05   0.22   0.02     0.11  -0.13  -0.01
    23   1    -0.01   0.09   0.07     0.01  -0.14  -0.11     0.08   0.12   0.01
    24   1     0.01  -0.05   0.05    -0.02   0.08  -0.07     0.05  -0.29  -0.08
    25   1     0.07   0.03   0.02    -0.09  -0.04  -0.03    -0.41  -0.02  -0.07
    26   1    -0.08  -0.03   0.04     0.11   0.05  -0.05    -0.23   0.01  -0.14
    27   1    -0.05   0.00   0.04     0.08   0.00  -0.06     0.20   0.10  -0.05
    28   1    -0.33   0.28  -0.00    -0.11  -0.00  -0.05     0.06  -0.04  -0.00
    29   6     0.10  -0.06   0.02     0.07  -0.04   0.07     0.01  -0.00  -0.00
    30   1     0.00  -0.04   0.08    -0.00   0.02  -0.14    -0.00   0.02  -0.08
    31   1    -0.18  -0.33   0.28    -0.15  -0.21   0.08    -0.01  -0.02   0.01
    32   1    -0.22   0.02   0.07    -0.17  -0.18   0.17    -0.01   0.00   0.00
    33   1    -0.04   0.34  -0.20    -0.01   0.20  -0.23    -0.00   0.02  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1148.0429              1161.6356              1193.8493
 Red. masses --      1.5753                 2.0670                 1.7728
 Frc consts  --      1.2233                 1.6434                 1.4887
 IR Inten    --     35.0019               161.4685                 9.4992
 RamAct Fr= 1--      7.2316                 1.2733                 2.9096
  Dep-P Fr= 1--      0.1325                 0.5139                 0.6021
  Dep-U Fr= 1--      0.2340                 0.6790                 0.7517
 Alpha2 Fr= 1--      0.1168                 0.0059                 0.0080
 Beta2  Fr= 1--      0.2820                 0.1441                 0.3645
 AlphaG Fr= 1--      0.0642                -0.0187                 0.0197
 Gamma2 Fr= 1--      1.3151                -1.6198                -1.4978
 Delta2 Fr= 1--      0.7021                -0.6676                 0.4332
 Raman1 Fr= 1--      28.926                  5.093                 11.639
 ROA1   Fr= 1--     148.719               -176.868               -129.931
 CID1   Fr= 1--       5.141                -34.728                -11.164
 Raman2 Fr= 1--       3.384                  1.729                  4.374
 ROA2   Fr= 1--      25.947                -33.536                -39.413
 CID2   Fr= 1--       7.667                -19.397                 -9.011
 Raman3 Fr= 1--       6.769                  3.458                  8.748
 ROA3   Fr= 1--     148.719               -176.868               -129.931
 CID3   Fr= 1--      21.971                -51.149                -14.852
 RC180  Fr= 1--      -0.532                  0.358                  0.503
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.01   0.00     0.05   0.02   0.01     0.00   0.00  -0.00
     2   6     0.02   0.00   0.01    -0.01  -0.00  -0.01     0.01   0.00   0.01
     3   6     0.04   0.01  -0.01    -0.05  -0.02   0.01    -0.00  -0.00  -0.00
     4   6    -0.04   0.00   0.03    -0.05   0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.06  -0.03  -0.03     0.04   0.00  -0.01    -0.00  -0.00  -0.00
     6   6     0.08   0.02  -0.01    -0.03  -0.01  -0.00     0.00  -0.00  -0.01
     7   6    -0.02   0.01  -0.07     0.00   0.00   0.02    -0.02   0.03  -0.05
     8   6    -0.03  -0.04   0.06     0.00   0.01  -0.02     0.16  -0.11  -0.00
     9   6     0.01   0.02  -0.02    -0.00  -0.00   0.01    -0.11   0.03   0.02
    10   6     0.01   0.02  -0.04    -0.00  -0.00   0.01    -0.08   0.08   0.04
    11   6     0.00  -0.01   0.02    -0.00  -0.03   0.13     0.00   0.00  -0.00
    12   6    -0.02   0.07  -0.04    -0.05   0.13  -0.09    -0.00   0.00  -0.00
    13   8     0.01  -0.01  -0.02     0.02  -0.03  -0.05     0.00  -0.00  -0.00
    14   8     0.01  -0.02   0.07     0.01  -0.04   0.13     0.00  -0.00   0.00
    15   1    -0.36  -0.05   0.18     0.30   0.04  -0.13     0.03   0.00  -0.02
    16   1     0.29   0.15   0.12    -0.24  -0.10  -0.10    -0.01  -0.01  -0.00
    17   1    -0.29  -0.05   0.09     0.33   0.05  -0.19    -0.02  -0.00   0.01
    18   1     0.42   0.19   0.17    -0.17  -0.09  -0.08    -0.01  -0.02  -0.01
    19   1     0.20   0.08   0.01    -0.04  -0.03   0.01    -0.22   0.11  -0.12
    20   1    -0.16  -0.01   0.02     0.05   0.01  -0.01     0.04   0.00  -0.00
    21   1     0.07  -0.18   0.10    -0.02   0.03  -0.02     0.35  -0.25   0.07
    22   1    -0.01  -0.10  -0.02    -0.00   0.03   0.00     0.20   0.21   0.13
    23   1    -0.04   0.05   0.06     0.01  -0.02  -0.02     0.16   0.30   0.04
    24   1    -0.00   0.05   0.08    -0.00  -0.00  -0.02     0.05  -0.33  -0.10
    25   1     0.18   0.03   0.04    -0.04  -0.01  -0.01    -0.16  -0.27  -0.01
    26   1     0.01  -0.03   0.08     0.00   0.01  -0.02     0.34   0.08   0.01
    27   1    -0.11  -0.03   0.05     0.03   0.01  -0.01    -0.20  -0.22  -0.12
    28   1     0.19  -0.10   0.00     0.29  -0.15   0.10     0.00  -0.00  -0.00
    29   6     0.01  -0.01  -0.02     0.01  -0.02  -0.09     0.00  -0.00   0.00
    30   1    -0.01   0.06  -0.23    -0.04   0.12  -0.46    -0.00   0.00  -0.00
    31   1    -0.00  -0.03   0.04     0.04  -0.06   0.18    -0.00  -0.00   0.00
    32   1     0.00   0.06  -0.04     0.03   0.27  -0.20    -0.00  -0.00   0.00
    33   1    -0.01   0.03   0.02    -0.03   0.07   0.14    -0.00   0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1211.8084              1222.7581              1236.6941
 Red. masses --      1.2528                 2.1594                 2.3831
 Frc consts  --      1.0839                 1.9022                 2.1474
 IR Inten    --      2.7453                 9.8056                 1.2664
 RamAct Fr= 1--     37.9140                35.9533                30.0347
  Dep-P Fr= 1--      0.0809                 0.1412                 0.1234
  Dep-U Fr= 1--      0.1497                 0.2475                 0.2197
 Alpha2 Fr= 1--      0.6954                 0.5682                 0.4964
 Beta2  Fr= 1--      0.9461                 1.4832                 1.0996
 AlphaG Fr= 1--      0.0646                 0.0266                 0.1066
 Gamma2 Fr= 1--      1.1053                 1.7267                 1.3119
 Delta2 Fr= 1--     -0.4300                -0.0065                -0.3608
 Raman1 Fr= 1--     151.656                143.813                120.139
 ROA1   Fr= 1--      92.345                165.556                114.399
 CID1   Fr= 1--       0.609                  1.151                  0.952
 Raman2 Fr= 1--      11.353                 17.798                 13.195
 ROA2   Fr= 1--      29.966                 41.492                 34.373
 CID2   Fr= 1--       2.639                  2.331                  2.605
 Raman3 Fr= 1--      22.707                 35.596                 26.390
 ROA3   Fr= 1--      92.345                165.556                114.399
 CID3   Fr= 1--       4.067                  4.651                  4.335
 RC180  Fr= 1--      -0.701                 -0.505                 -0.561
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.04    -0.09  -0.04  -0.03     0.04   0.01  -0.01
     2   6     0.04   0.01  -0.00    -0.03  -0.02  -0.00     0.28   0.10  -0.01
     3   6     0.01   0.02   0.03     0.08   0.03   0.01    -0.07   0.00   0.06
     4   6    -0.09  -0.02   0.01     0.22   0.06  -0.03     0.04   0.01  -0.02
     5   6     0.02  -0.01  -0.04     0.06   0.02   0.01    -0.07  -0.04  -0.05
     6   6    -0.01  -0.02  -0.04    -0.08  -0.01   0.04     0.05   0.01   0.01
     7   6    -0.02  -0.01   0.00     0.02   0.01  -0.00    -0.09  -0.05   0.02
     8   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00   0.04
     9   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.01   0.00  -0.02
    10   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.01
    11   6     0.04   0.02  -0.01    -0.09  -0.04   0.03     0.01  -0.00   0.00
    12   6     0.00  -0.01   0.01    -0.01   0.02  -0.02    -0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.01     0.01  -0.01  -0.03     0.00  -0.00  -0.01
    14   8     0.00   0.00  -0.01    -0.00  -0.01   0.04    -0.00   0.00   0.01
    15   1    -0.35  -0.01   0.23    -0.48  -0.08   0.18    -0.18  -0.00   0.12
    16   1     0.37   0.22   0.23     0.20   0.09   0.06    -0.34  -0.14  -0.07
    17   1     0.48   0.03  -0.31    -0.01   0.02   0.06    -0.37  -0.07   0.12
    18   1    -0.32  -0.19  -0.22    -0.39  -0.18  -0.12    -0.28  -0.15  -0.19
    19   1    -0.06  -0.01  -0.01     0.03  -0.00  -0.00    -0.48   0.02  -0.11
    20   1    -0.03  -0.01   0.00     0.06  -0.00   0.02    -0.30  -0.02  -0.03
    21   1    -0.00   0.01   0.00     0.00   0.01   0.00    -0.07   0.03   0.01
    22   1     0.00  -0.01  -0.00     0.01  -0.01   0.00    -0.01  -0.06  -0.02
    23   1     0.00   0.01   0.01     0.00   0.02   0.01    -0.02   0.01   0.03
    24   1     0.00  -0.01   0.00     0.00  -0.01   0.00    -0.00   0.02   0.04
    25   1    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.04   0.03   0.00
    26   1    -0.00  -0.00   0.00     0.01  -0.00   0.01    -0.05  -0.02   0.02
    27   1     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.01   0.02   0.03
    28   1     0.19   0.04  -0.06    -0.49  -0.13   0.17    -0.13  -0.02   0.05
    29   6    -0.01  -0.00   0.02     0.02  -0.00  -0.04    -0.01  -0.00  -0.01
    30   1     0.01  -0.01   0.06    -0.02   0.05  -0.19    -0.01   0.02  -0.07
    31   1     0.01   0.03  -0.04    -0.04  -0.08   0.08     0.01   0.00   0.02
    32   1     0.03  -0.02   0.02    -0.06   0.08  -0.05     0.01   0.01  -0.02
    33   1     0.00  -0.02  -0.01    -0.01   0.06   0.02    -0.00  -0.02   0.04
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1247.6176              1280.1017              1309.3077
 Red. masses --      1.6167                 1.7461                 1.5939
 Frc consts  --      1.4827                 1.6858                 1.6099
 IR Inten    --      3.1280                 2.3314                 4.2091
 RamAct Fr= 1--      5.6970                 5.3297                 4.3420
  Dep-P Fr= 1--      0.5233                 0.5752                 0.4604
  Dep-U Fr= 1--      0.6871                 0.7304                 0.6305
 Alpha2 Fr= 1--      0.0251                 0.0175                 0.0255
 Beta2  Fr= 1--      0.6524                 0.6488                 0.4562
 AlphaG Fr= 1--      0.0205                 0.0333                 0.0098
 Gamma2 Fr= 1--     -1.9352                 1.7049                -5.1531
 Delta2 Fr= 1--     -0.0031                 1.4851                -1.8203
 Raman1 Fr= 1--      22.788                 21.319                 17.368
 ROA1   Fr= 1--    -185.878                211.194               -552.948
 CID1   Fr= 1--      -8.157                  9.906                -31.837
 Raman2 Fr= 1--       7.828                  7.785                  5.475
 ROA2   Fr= 1--     -46.419                 29.037               -109.112
 CID2   Fr= 1--      -5.930                  3.730                -19.929
 Raman3 Fr= 1--      15.657                 15.570                 10.950
 ROA3   Fr= 1--    -185.878                211.194               -552.948
 CID3   Fr= 1--     -11.872                 13.564                -50.498
 RC180  Fr= 1--       0.374                  0.461                  0.261
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.04     0.02  -0.01  -0.04    -0.03   0.00   0.03
     2   6    -0.04   0.00   0.08     0.02   0.02   0.02     0.01  -0.02  -0.03
     3   6    -0.01  -0.01  -0.03    -0.01  -0.01  -0.03     0.02   0.02   0.03
     4   6     0.00   0.02   0.04     0.07   0.06   0.10    -0.01  -0.04  -0.08
     5   6     0.03   0.00  -0.02     0.03  -0.01  -0.05    -0.02   0.01   0.03
     6   6    -0.03  -0.02  -0.03    -0.04  -0.01  -0.01     0.03   0.02   0.02
     7   6     0.01  -0.00  -0.06     0.00  -0.01   0.01    -0.02   0.01  -0.01
     8   6    -0.00   0.00   0.15     0.00  -0.00  -0.02    -0.01   0.00  -0.00
     9   6     0.01   0.01  -0.10    -0.00  -0.00   0.02     0.00   0.00  -0.01
    10   6    -0.00  -0.00  -0.05     0.00   0.00   0.00    -0.00  -0.00   0.01
    11   6    -0.03  -0.00  -0.01    -0.16  -0.00  -0.01     0.04   0.08  -0.01
    12   6     0.01   0.00   0.00     0.02   0.06  -0.03    -0.05   0.09  -0.06
    13   8    -0.00   0.00   0.01    -0.02   0.00   0.05    -0.00  -0.00   0.05
    14   8     0.00  -0.00  -0.01     0.02  -0.03  -0.03     0.03  -0.04  -0.03
    15   1     0.14  -0.01  -0.10    -0.21  -0.02   0.09     0.11   0.01  -0.05
    16   1     0.02  -0.00  -0.01    -0.22  -0.13  -0.15     0.10   0.06   0.07
    17   1     0.01  -0.00  -0.00     0.09  -0.01  -0.08    -0.10  -0.01   0.08
    18   1    -0.05  -0.04  -0.05     0.04   0.03   0.03    -0.08  -0.04  -0.04
    19   1    -0.42   0.21  -0.20     0.09  -0.02   0.03    -0.00  -0.02   0.00
    20   1     0.46  -0.15   0.23    -0.19   0.04  -0.06     0.16  -0.04   0.06
    21   1    -0.00   0.25   0.16    -0.03  -0.09  -0.04     0.09   0.08   0.04
    22   1     0.04  -0.33  -0.06    -0.00   0.06   0.01    -0.00  -0.03  -0.01
    23   1    -0.08   0.14   0.15     0.02  -0.02  -0.02    -0.01   0.00   0.01
    24   1     0.03  -0.05   0.18    -0.01   0.01  -0.03     0.00   0.00   0.01
    25   1     0.14   0.05   0.03    -0.00  -0.00  -0.00    -0.03  -0.00  -0.00
    26   1    -0.05  -0.06   0.11     0.00   0.01  -0.01     0.01   0.01  -0.01
    27   1    -0.11   0.02   0.09     0.00  -0.01  -0.01     0.02   0.01  -0.01
    28   1     0.09  -0.01  -0.04     0.61  -0.18  -0.14    -0.05  -0.55   0.25
    29   6     0.01   0.00   0.01     0.05   0.00   0.01    -0.02  -0.04  -0.04
    30   1     0.00  -0.02   0.05     0.04  -0.15   0.44     0.08  -0.19   0.59
    31   1    -0.03  -0.02  -0.01    -0.11  -0.12   0.02     0.06  -0.03   0.15
    32   1    -0.03  -0.02   0.02    -0.14  -0.03   0.06     0.04   0.11  -0.11
    33   1     0.00   0.03  -0.04     0.01   0.12  -0.08    -0.03  -0.03   0.16
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1319.3569              1349.7290              1363.6703
 Red. masses --      1.3466                 2.1911                 1.5746
 Frc consts  --      1.3811                 2.3518                 1.7252
 IR Inten    --      1.4435                 0.6775                 0.8558
 RamAct Fr= 1--     17.9612                 2.7119                 7.4125
  Dep-P Fr= 1--      0.3125                 0.7474                 0.3570
  Dep-U Fr= 1--      0.4762                 0.8554                 0.5261
 Alpha2 Fr= 1--      0.1774                 0.0001                 0.0636
 Beta2  Fr= 1--      1.4255                 0.3866                 0.6500
 AlphaG Fr= 1--      0.0164                -0.0046                 0.0907
 Gamma2 Fr= 1--     -0.4879                 4.2351                -1.3735
 Delta2 Fr= 1--      0.7068                 1.9402                -1.6033
 Raman1 Fr= 1--      71.845                 10.848                 29.650
 ROA1   Fr= 1--     -24.223                468.657               -183.165
 CID1   Fr= 1--      -0.337                 43.204                 -6.178
 Raman2 Fr= 1--      17.106                  4.640                  7.800
 ROA2   Fr= 1--     -17.365                 86.121                -20.138
 CID2   Fr= 1--      -1.015                 18.562                 -2.582
 Raman3 Fr= 1--      34.211                  9.279                 15.599
 ROA3   Fr= 1--     -24.223                468.657               -183.165
 CID3   Fr= 1--      -0.708                 50.506                -11.742
 RC180  Fr= 1--      -0.048                  0.711                  0.052
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.01     0.08   0.00  -0.04    -0.09  -0.01   0.04
     2   6     0.06  -0.02  -0.01    -0.00   0.07   0.18    -0.01   0.00   0.00
     3   6    -0.00   0.00   0.01    -0.11  -0.06  -0.05     0.04   0.02   0.01
     4   6     0.01   0.01   0.01    -0.02   0.02   0.07     0.03  -0.03  -0.10
     5   6    -0.02  -0.01  -0.01     0.11   0.01  -0.07    -0.03  -0.01   0.01
     6   6     0.01   0.01   0.01    -0.06  -0.04  -0.04     0.07   0.04   0.04
     7   6    -0.12   0.02  -0.04     0.01  -0.03  -0.05     0.05  -0.02  -0.01
     8   6    -0.05   0.01  -0.04    -0.05   0.06  -0.03    -0.05   0.04  -0.01
     9   6     0.02   0.01  -0.01     0.01  -0.01   0.03     0.01  -0.01   0.01
    10   6    -0.00  -0.02   0.06     0.01  -0.02   0.02     0.01  -0.01   0.01
    11   6    -0.02  -0.02   0.00     0.03   0.03  -0.02    -0.06  -0.05   0.04
    12   6     0.01  -0.01   0.01    -0.00  -0.00   0.00    -0.00   0.01  -0.01
    13   8    -0.00   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    15   1    -0.11  -0.02   0.06     0.17   0.02  -0.10     0.32   0.02  -0.19
    16   1    -0.12  -0.06  -0.05     0.31   0.18   0.17     0.18   0.09   0.08
    17   1     0.01  -0.01  -0.03    -0.34  -0.04   0.18    -0.21  -0.02   0.11
    18   1     0.01  -0.02   0.01    -0.18  -0.10  -0.11    -0.32  -0.16  -0.18
    19   1     0.32  -0.15   0.11     0.24   0.08   0.04    -0.16   0.13  -0.08
    20   1     0.47  -0.15   0.24    -0.18  -0.03   0.02    -0.05   0.00  -0.03
    21   1     0.55   0.21   0.19     0.32  -0.40   0.10     0.25  -0.24   0.10
    22   1    -0.04  -0.08  -0.03    -0.06   0.06   0.00    -0.06   0.04  -0.01
    23   1    -0.04  -0.03  -0.00     0.01  -0.08  -0.05    -0.01  -0.03   0.01
    24   1     0.01   0.01  -0.01    -0.01   0.01  -0.09    -0.01   0.03  -0.04
    25   1    -0.14  -0.01  -0.00    -0.05   0.05  -0.00    -0.04   0.04  -0.01
    26   1     0.06   0.06  -0.10    -0.02   0.02  -0.07    -0.01   0.01  -0.03
    27   1     0.16   0.04  -0.06     0.07   0.03  -0.01     0.02   0.02   0.02
    28   1     0.07   0.09  -0.06    -0.20  -0.15   0.11     0.43   0.30  -0.22
    29   6     0.01   0.01   0.01    -0.01  -0.01  -0.00     0.02   0.02   0.02
    30   1    -0.01   0.02  -0.07     0.00  -0.00   0.01    -0.00  -0.01   0.01
    31   1    -0.02  -0.00  -0.02     0.02   0.01   0.02    -0.05  -0.01  -0.08
    32   1    -0.02  -0.02   0.02     0.04   0.04  -0.03    -0.05  -0.02   0.05
    33   1     0.01   0.01  -0.03    -0.01  -0.01   0.01     0.02   0.03  -0.07
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1372.5239              1374.9912              1392.5346
 Red. masses --      1.4761                 1.3041                 1.9982
 Frc consts  --      1.6384                 1.4527                 2.2830
 IR Inten    --      0.5385                 2.9997                47.5217
 RamAct Fr= 1--      3.0429                18.5914                 3.9720
  Dep-P Fr= 1--      0.2513                 0.5794                 0.7448
  Dep-U Fr= 1--      0.4017                 0.7337                 0.8538
 Alpha2 Fr= 1--      0.0359                 0.0595                 0.0003
 Beta2  Fr= 1--      0.2037                 2.2735                 0.5652
 AlphaG Fr= 1--      0.1448                 0.1493                 0.0072
 Gamma2 Fr= 1--      2.5883                 1.8281                 1.6899
 Delta2 Fr= 1--      0.5616                -2.1700                -1.4179
 Raman1 Fr= 1--      12.171                 74.366                 15.888
 ROA1   Fr= 1--     266.444                106.061                116.855
 CID1   Fr= 1--      21.891                  1.426                  7.355
 Raman2 Fr= 1--       2.445                 27.282                  6.782
 ROA2   Fr= 1--      57.626                 61.235                 51.901
 CID2   Fr= 1--      23.573                  2.245                  7.652
 Raman3 Fr= 1--       4.889                 54.564                 13.564
 ROA3   Fr= 1--     266.444                106.061                116.855
 CID3   Fr= 1--      54.496                  1.944                  8.615
 RC180  Fr= 1--      -0.197                  0.467                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00    -0.01   0.00   0.01     0.03   0.00  -0.01
     2   6    -0.02   0.01   0.00     0.01   0.02   0.05    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.01    -0.03  -0.01  -0.01    -0.01  -0.00   0.01
     4   6    -0.00   0.00   0.01     0.01  -0.01  -0.03    -0.01   0.02   0.01
     5   6     0.01   0.00   0.00     0.03   0.00  -0.02     0.02   0.00  -0.00
     6   6    -0.01  -0.01  -0.01     0.01   0.01   0.01    -0.03  -0.02  -0.01
     7   6     0.09   0.00   0.03    -0.06   0.03   0.00     0.00  -0.00   0.00
     8   6    -0.10  -0.12  -0.04     0.07  -0.09   0.00    -0.01   0.00  -0.00
     9   6     0.04   0.00  -0.03    -0.01   0.01  -0.03     0.00  -0.00   0.00
    10   6    -0.00   0.03   0.04    -0.02   0.02  -0.01    -0.00  -0.00   0.00
    11   6     0.01   0.01  -0.01    -0.02  -0.02   0.02     0.08  -0.15   0.03
    12   6     0.00  -0.00   0.00    -0.00   0.01  -0.01    -0.11   0.15  -0.11
    13   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.02   0.03
    14   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.03  -0.05   0.01
    15   1    -0.01   0.01   0.01     0.18   0.01  -0.09    -0.11  -0.01   0.07
    16   1     0.01   0.01   0.00     0.18   0.11   0.10    -0.03   0.00  -0.00
    17   1     0.03   0.01  -0.01    -0.25  -0.02   0.13     0.01   0.03  -0.01
    18   1     0.04   0.03   0.02    -0.19  -0.11  -0.09     0.08   0.05   0.05
    19   1    -0.22   0.09  -0.08     0.40  -0.22   0.16    -0.03   0.02  -0.01
    20   1    -0.40   0.13  -0.20    -0.11   0.02   0.02     0.01   0.00  -0.01
    21   1     0.44   0.53   0.18    -0.34   0.52  -0.15     0.03  -0.02   0.01
    22   1    -0.08   0.06  -0.07     0.07  -0.04   0.01    -0.00   0.01  -0.00
    23   1    -0.07   0.09   0.17     0.01   0.08   0.03    -0.00   0.00   0.00
    24   1    -0.04   0.19   0.11    -0.00   0.01   0.08    -0.00   0.01   0.00
    25   1    -0.02  -0.08   0.02     0.08  -0.09   0.03    -0.00   0.00   0.00
    26   1     0.13   0.06  -0.04     0.05  -0.01   0.04     0.00   0.00  -0.00
    27   1     0.09  -0.03  -0.10    -0.00  -0.03  -0.06     0.00   0.00   0.00
    28   1    -0.05  -0.05   0.03     0.15   0.12  -0.08    -0.36   0.65  -0.17
    29   6    -0.00  -0.00  -0.00     0.01   0.01   0.01    -0.01   0.06   0.01
    30   1    -0.00   0.00  -0.01     0.00  -0.01   0.02     0.05  -0.15   0.42
    31   1     0.01   0.00   0.01    -0.02   0.00  -0.04    -0.07   0.01   0.00
    32   1     0.01   0.01  -0.01    -0.01   0.00   0.01     0.11  -0.18   0.08
    33   1    -0.00   0.00   0.01     0.00   0.01  -0.04     0.07  -0.16  -0.10
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.4907              1415.8038              1422.8298
 Red. masses --      1.2574                 1.2217                 1.2354
 Frc consts  --      1.4593                 1.4428                 1.4735
 IR Inten    --      5.4388                11.4897                 6.3922
 RamAct Fr= 1--      0.2568                 0.7261                 0.9890
  Dep-P Fr= 1--      0.3206                 0.6483                 0.5372
  Dep-U Fr= 1--      0.4855                 0.7867                 0.6990
 Alpha2 Fr= 1--      0.0025                 0.0013                 0.0041
 Beta2  Fr= 1--      0.0208                 0.0952                 0.1152
 AlphaG Fr= 1--      0.0041                 0.0038                 0.0075
 Gamma2 Fr= 1--      0.0046                -0.0787                 0.1598
 Delta2 Fr= 1--     -0.0019                 0.0554                -0.1054
 Raman1 Fr= 1--       1.027                  2.904                  3.956
 ROA1   Fr= 1--       0.378                 -5.782                 11.969
 CID1   Fr= 1--       0.368                 -1.991                  3.026
 Raman2 Fr= 1--       0.249                  1.142                  1.383
 ROA2   Fr= 1--       0.124                 -2.332                  4.678
 CID2   Fr= 1--       0.498                 -2.042                  3.384
 Raman3 Fr= 1--       0.499                  2.285                  2.765
 ROA3   Fr= 1--       0.378                 -5.782                 11.969
 CID3   Fr= 1--       0.757                 -2.531                  4.329
 RC180  Fr= 1--      -0.029                  0.573                  0.398
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.01  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.01    -0.00  -0.00  -0.00
     4   6     0.00   0.00   0.00     0.01   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.01   0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00   0.00   0.00
     7   6    -0.01  -0.01  -0.00     0.00   0.00   0.00    -0.02  -0.00  -0.01
     8   6     0.02   0.03   0.01    -0.00   0.00   0.00    -0.00   0.01   0.00
     9   6    -0.01  -0.09  -0.03    -0.00  -0.00  -0.00     0.00  -0.10  -0.04
    10   6    -0.10  -0.05  -0.01    -0.00  -0.00  -0.00     0.09   0.03  -0.00
    11   6     0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00   0.00
    12   6     0.00  -0.00   0.00    -0.01   0.02  -0.02     0.00  -0.00   0.00
    13   8    -0.00   0.00  -0.00    -0.00   0.00   0.01    -0.00   0.00  -0.00
    14   8    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    15   1    -0.00  -0.00   0.00    -0.04  -0.00   0.02    -0.00  -0.00   0.00
    16   1    -0.01  -0.01  -0.01    -0.03  -0.02  -0.01     0.00   0.00   0.00
    17   1     0.01   0.00  -0.01    -0.01  -0.00   0.02    -0.01  -0.00   0.00
    18   1     0.00   0.00   0.00     0.02   0.01   0.02     0.00  -0.00   0.00
    19   1     0.01   0.02   0.00    -0.02   0.00  -0.01     0.07   0.02   0.02
    20   1     0.07  -0.02   0.02     0.02  -0.00  -0.00     0.10  -0.01   0.01
    21   1    -0.04  -0.09  -0.02     0.00  -0.01   0.00    -0.02  -0.02  -0.00
    22   1     0.08   0.38   0.00     0.00   0.00  -0.00     0.04   0.42  -0.02
    23   1     0.12   0.28   0.21    -0.00   0.00   0.00     0.09   0.30   0.27
    24   1    -0.16   0.31   0.13    -0.00   0.00   0.00    -0.17   0.34   0.16
    25   1     0.35   0.19   0.18    -0.00   0.00  -0.00    -0.33  -0.11  -0.18
    26   1     0.41  -0.02  -0.06     0.00  -0.00  -0.00    -0.38   0.00   0.06
    27   1     0.30   0.29  -0.06    -0.00   0.00   0.00    -0.28  -0.23   0.12
    28   1    -0.00  -0.01   0.00    -0.04   0.04  -0.01     0.00  -0.00   0.00
    29   6    -0.00   0.00  -0.00    -0.01  -0.10   0.09     0.00   0.00  -0.00
    30   1    -0.00   0.00  -0.00     0.01  -0.02   0.05    -0.00   0.00  -0.00
    31   1    -0.00  -0.00   0.00     0.21   0.24  -0.50    -0.00  -0.00   0.00
    32   1    -0.00  -0.00   0.00     0.09   0.54  -0.18    -0.00  -0.00   0.00
    33   1     0.00  -0.00   0.00    -0.14   0.35  -0.38     0.00  -0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1459.9011              1485.5744              1490.2132
 Red. masses --      2.4884                 1.0756                 1.0458
 Frc consts  --      3.1248                 1.3986                 1.3683
 IR Inten    --      8.3335                 0.4701                 2.2054
 RamAct Fr= 1--      0.6654                 1.9106                13.8924
  Dep-P Fr= 1--      0.5714                 0.6533                 0.7298
  Dep-U Fr= 1--      0.7273                 0.7903                 0.8438
 Alpha2 Fr= 1--      0.0022                 0.0033                 0.0048
 Beta2  Fr= 1--      0.0806                 0.2517                 1.9538
 AlphaG Fr= 1--     -0.0303                 0.0353                -0.0075
 Gamma2 Fr= 1--     -4.0163                 1.5322                 5.9422
 Delta2 Fr= 1--      1.7983                -0.2270                 1.0646
 Raman1 Fr= 1--       2.661                  7.642                 55.570
 ROA1   Fr= 1--    -328.020                139.826                604.518
 CID1   Fr= 1--    -123.247                 18.296                 10.879
 Raman2 Fr= 1--       0.968                  3.020                 23.445
 ROA2   Fr= 1--    -110.777                 38.588                134.097
 CID2   Fr= 1--    -114.464                 12.778                  5.720
 Raman3 Fr= 1--       1.936                  6.040                 46.890
 ROA3   Fr= 1--    -328.020                139.826                604.518
 CID3   Fr= 1--    -169.468                 23.151                 12.892
 RC180  Fr= 1--       0.455                  0.581                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.05  -0.03    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.02   0.06   0.14     0.01  -0.00   0.00    -0.00   0.00  -0.00
     3   6     0.13   0.03  -0.04    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.01   0.06   0.14     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.14  -0.05  -0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.14   0.03  -0.04     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.04    -0.04  -0.04   0.02     0.01   0.02  -0.01
     8   6     0.00  -0.01  -0.00     0.01   0.01   0.00    -0.01  -0.00  -0.01
     9   6    -0.00  -0.00   0.00     0.03   0.00   0.01    -0.00  -0.01   0.03
    10   6     0.00   0.01   0.00    -0.02   0.03  -0.01    -0.00   0.01  -0.04
    11   6     0.04  -0.01  -0.04     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.01   0.02  -0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   1     0.26  -0.03  -0.25    -0.00  -0.00  -0.00    -0.01   0.00   0.00
    16   1    -0.24  -0.19  -0.26    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1     0.31  -0.02  -0.28    -0.00  -0.00  -0.00    -0.01   0.00   0.01
    18   1    -0.22  -0.17  -0.25    -0.02  -0.01  -0.01     0.01   0.00   0.01
    19   1     0.23  -0.07   0.05     0.14   0.43   0.08    -0.05  -0.17  -0.03
    20   1    -0.19  -0.02   0.06     0.22   0.10  -0.38    -0.08  -0.04   0.15
    21   1    -0.02   0.02  -0.01    -0.03  -0.00  -0.02     0.05   0.03   0.02
    22   1    -0.01  -0.01  -0.00    -0.33   0.08  -0.13    -0.12  -0.22  -0.02
    23   1     0.03   0.03  -0.00    -0.16   0.04   0.23     0.30   0.19  -0.09
    24   1    -0.01   0.03  -0.03     0.07  -0.13  -0.19    -0.10   0.22  -0.37
    25   1     0.03  -0.04   0.01     0.12  -0.38   0.03    -0.18  -0.23  -0.11
    26   1    -0.04   0.01  -0.00    -0.11  -0.10   0.27     0.13  -0.19   0.45
    27   1     0.01  -0.04  -0.05     0.19   0.07  -0.16     0.06   0.33   0.25
    28   1    -0.35  -0.05   0.08    -0.01  -0.00   0.00     0.01   0.00  -0.01
    29   6    -0.01  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.01  -0.01   0.04     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.03   0.02  -0.00     0.00   0.00   0.00     0.04   0.03   0.04
    32   1     0.08   0.03  -0.02     0.01  -0.00  -0.00     0.03  -0.04   0.00
    33   1    -0.01   0.00  -0.07    -0.00   0.00  -0.00    -0.02   0.04  -0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.0794              1497.6632              1498.7268
 Red. masses --      1.0467                 1.0758                 1.0553
 Frc consts  --      1.3729                 1.4217                 1.3966
 IR Inten    --      4.2664                 2.4718                 9.2938
 RamAct Fr= 1--      5.5428                 4.0487                 5.3196
  Dep-P Fr= 1--      0.5811                 0.7330                 0.6576
  Dep-U Fr= 1--      0.7351                 0.8459                 0.7934
 Alpha2 Fr= 1--      0.0175                 0.0012                 0.0088
 Beta2  Fr= 1--      0.6791                 0.5708                 0.7034
 AlphaG Fr= 1--      0.0002                 0.0122                 0.0692
 Gamma2 Fr= 1--     -3.6543                 2.6222                -0.9348
 Delta2 Fr= 1--     -3.1651                 0.1747                 1.0212
 Raman1 Fr= 1--      22.171                 16.195                 21.278
 ROA1   Fr= 1--    -452.098                257.320                -57.060
 CID1   Fr= 1--     -20.391                 15.889                 -2.682
 Raman2 Fr= 1--       8.149                  6.850                  8.441
 ROA2   Fr= 1--     -62.383                 61.535                -30.604
 CID2   Fr= 1--      -7.656                  8.984                 -3.625
 Raman3 Fr= 1--      16.297                 13.699                 16.883
 ROA3   Fr= 1--    -452.098                257.320                -57.060
 CID3   Fr= 1--     -27.740                 18.783                 -3.380
 RC180  Fr= 1--       0.470                  0.692                  0.587
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.01  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.01  -0.00  -0.00     0.01  -0.00   0.01    -0.00  -0.00  -0.01
     3   6     0.01   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.01     0.00  -0.00  -0.00
     5   6     0.01   0.00  -0.01    -0.01  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.01     0.01   0.00   0.00    -0.00   0.00   0.00
     7   6     0.00   0.00   0.00    -0.03  -0.04   0.03     0.01   0.01  -0.00
     8   6     0.00   0.00   0.00    -0.02  -0.02  -0.01     0.00   0.00   0.00
     9   6     0.00   0.00  -0.00    -0.03   0.01  -0.00     0.01  -0.00   0.00
    10   6    -0.00  -0.00   0.00     0.01  -0.02  -0.01    -0.00   0.00   0.00
    11   6    -0.02  -0.01  -0.01    -0.00   0.00  -0.00    -0.02   0.03   0.01
    12   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.02  -0.00   0.01     0.01  -0.00  -0.01    -0.00   0.00   0.01
    16   1    -0.01  -0.01  -0.00     0.00  -0.01  -0.00    -0.00  -0.01   0.00
    17   1    -0.03  -0.00   0.02     0.00  -0.00  -0.01    -0.01  -0.00   0.01
    18   1    -0.02  -0.01  -0.01    -0.03  -0.01  -0.02     0.00   0.00   0.01
    19   1     0.00   0.01   0.00     0.14   0.44   0.08    -0.03  -0.08  -0.02
    20   1     0.01   0.00  -0.00     0.16   0.12  -0.42    -0.02  -0.02   0.07
    21   1    -0.01  -0.01  -0.00     0.03   0.07   0.01    -0.01  -0.01  -0.00
    22   1     0.00   0.02  -0.00     0.34  -0.13   0.13    -0.06   0.03  -0.02
    23   1    -0.03  -0.01   0.02     0.16  -0.06  -0.27    -0.03   0.01   0.05
    24   1     0.01  -0.02   0.03    -0.06   0.12   0.18     0.01  -0.03  -0.03
    25   1     0.02   0.02   0.01    -0.20   0.19  -0.08     0.02  -0.02   0.01
    26   1    -0.02   0.02  -0.05     0.20  -0.03   0.03    -0.02   0.00  -0.01
    27   1    -0.00  -0.04  -0.03    -0.11   0.14   0.27     0.01  -0.02  -0.03
    28   1     0.04   0.04  -0.05    -0.01  -0.01   0.01     0.05  -0.07   0.03
    29   6    -0.04  -0.02  -0.02    -0.01   0.00   0.00    -0.03   0.02   0.03
    30   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.02
    31   1     0.48   0.27   0.42    -0.02  -0.03   0.05    -0.22  -0.20   0.25
    32   1     0.34  -0.39   0.05     0.11   0.01  -0.03     0.58   0.11  -0.15
    33   1    -0.17   0.43  -0.11     0.01  -0.04  -0.10     0.11  -0.33  -0.55
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.1739              1511.0182              1551.5886
 Red. masses --      1.0528                 1.0511                 2.4409
 Frc consts  --      1.4035                 1.4139                 3.4623
 IR Inten    --      4.5950                12.1915                25.5528
 RamAct Fr= 1--     10.3702                 1.1274                 0.6341
  Dep-P Fr= 1--      0.7317                 0.5103                 0.6627
  Dep-U Fr= 1--      0.8451                 0.6758                 0.7972
 Alpha2 Fr= 1--      0.0032                 0.0053                 0.0010
 Beta2  Fr= 1--      1.4606                 0.1270                 0.0842
 AlphaG Fr= 1--      0.0130                -0.0072                 0.0104
 Gamma2 Fr= 1--     -1.1074                -1.8459                -0.0918
 Delta2 Fr= 1--      0.0855                -0.4080                -0.2671
 Raman1 Fr= 1--      41.481                  4.510                  2.536
 ROA1   Fr= 1--    -103.573               -190.259                -17.357
 CID1   Fr= 1--      -2.497                -42.188                 -6.843
 Raman2 Fr= 1--      17.527                  1.524                  1.011
 ROA2   Fr= 1--     -27.261                -41.037                 -0.066
 CID2   Fr= 1--      -1.555                -26.930                 -0.065
 Raman3 Fr= 1--      35.054                  3.048                  2.022
 ROA3   Fr= 1--    -103.573               -190.259                -17.357
 CID3   Fr= 1--      -2.955                -62.428                 -8.585
 RC180  Fr= 1--       0.690                  0.352                  0.594
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.10   0.01   0.10
     2   6    -0.00   0.00   0.00    -0.01   0.00   0.00     0.15   0.04  -0.01
     3   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.09  -0.07  -0.10
     4   6    -0.00   0.00   0.01    -0.00   0.00   0.00     0.15   0.05   0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.10   0.01   0.09
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.08  -0.06  -0.09
     7   6    -0.00   0.01  -0.00     0.01   0.01  -0.00    -0.03  -0.01   0.00
     8   6     0.03  -0.02  -0.01    -0.01   0.02  -0.03    -0.00   0.00  -0.00
     9   6     0.03   0.01  -0.01    -0.01   0.01  -0.03     0.00   0.00  -0.00
    10   6     0.00  -0.03  -0.02    -0.01   0.01  -0.02     0.00  -0.00   0.00
    11   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.03  -0.01  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.01
    13   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.01  -0.00  -0.01    -0.00   0.00  -0.00     0.43   0.06  -0.18
    16   1    -0.00  -0.00  -0.01    -0.01  -0.00  -0.00     0.43   0.21   0.17
    17   1     0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.40   0.06  -0.17
    18   1    -0.01  -0.01  -0.01    -0.01  -0.00  -0.01     0.37   0.17   0.14
    19   1     0.04  -0.04   0.01    -0.02  -0.13  -0.02    -0.04  -0.03  -0.00
    20   1    -0.03   0.00   0.01    -0.07  -0.03   0.11    -0.04  -0.01   0.02
    21   1    -0.02   0.04  -0.03     0.06  -0.06  -0.01     0.01  -0.00   0.00
    22   1    -0.32   0.19  -0.13     0.30   0.24   0.09     0.00   0.01  -0.00
    23   1    -0.31  -0.02   0.31    -0.27  -0.26  -0.02    -0.01  -0.01   0.00
    24   1     0.13  -0.26  -0.05     0.07  -0.18   0.50     0.01  -0.01   0.01
    25   1    -0.29   0.34  -0.11    -0.06  -0.32  -0.05    -0.00  -0.01  -0.00
    26   1     0.32  -0.02  -0.01     0.01  -0.16   0.39    -0.00  -0.01   0.01
    27   1    -0.20   0.18   0.41     0.14   0.23   0.06     0.01   0.01  -0.00
    28   1    -0.01   0.00   0.00    -0.00  -0.00   0.00    -0.05   0.00   0.00
    29   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.01
    31   1     0.01   0.00  -0.01     0.00   0.00   0.00     0.05   0.03   0.03
    32   1    -0.01  -0.00   0.00     0.00  -0.00   0.00     0.04  -0.03   0.00
    33   1    -0.00   0.01   0.01    -0.00   0.00  -0.00    -0.02   0.05  -0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1618.3602              1658.3011              1805.6964
 Red. masses --      6.0484                 5.7958                 9.5418
 Frc consts  --      9.3334                 9.3905                18.3304
 IR Inten    --      0.2528                 1.5838               271.3876
 RamAct Fr= 1--      1.6559               116.2773                12.5861
  Dep-P Fr= 1--      0.7082                 0.4888                 0.1979
  Dep-U Fr= 1--      0.8292                 0.6566                 0.3304
 Alpha2 Fr= 1--      0.0012                 0.6045                 0.1719
 Beta2  Fr= 1--      0.2288                12.7249                 0.6930
 AlphaG Fr= 1--      0.0185                 0.3239                -0.3415
 Gamma2 Fr= 1--      0.1444                 6.0564                -0.9863
 Delta2 Fr= 1--     -0.1276                 0.5372                 0.9396
 Raman1 Fr= 1--       6.624                465.109                 50.344
 ROA1   Fr= 1--       9.781                598.610                -64.615
 CID1   Fr= 1--       1.477                  1.287                 -1.283
 Raman2 Fr= 1--       2.746                152.699                  8.317
 ROA2   Fr= 1--       4.486                141.057                -31.187
 CID2   Fr= 1--       1.634                  0.924                 -3.750
 Raman3 Fr= 1--       5.492                305.398                 16.633
 ROA3   Fr= 1--       9.781                598.610                -64.615
 CID3   Fr= 1--       1.781                  1.960                 -3.885
 RC180  Fr= 1--       0.658                  0.313                 -0.339
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.05   0.19     0.29   0.06  -0.08     0.01  -0.00  -0.01
     2   6     0.01  -0.13  -0.32    -0.20  -0.06  -0.00    -0.00   0.00   0.00
     3   6    -0.07  -0.10  -0.18    -0.27  -0.11  -0.06    -0.01  -0.00   0.00
     4   6    -0.04   0.12   0.33     0.18   0.05  -0.01     0.02   0.01  -0.01
     5   6     0.12  -0.05  -0.21    -0.27  -0.05   0.08    -0.01  -0.00   0.01
     6   6     0.08   0.11   0.20     0.26   0.11   0.07     0.01   0.00  -0.00
     7   6     0.01   0.02   0.04     0.03   0.01  -0.00     0.00   0.00  -0.00
     8   6     0.00   0.01   0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    11   6     0.02  -0.01  -0.04    -0.02  -0.01   0.00     0.01  -0.04  -0.04
    12   6    -0.00   0.01   0.00    -0.00   0.00  -0.02    -0.25   0.26   0.61
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.01     0.14  -0.14  -0.40
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.02  -0.02  -0.06
    15   1     0.27   0.08  -0.01    -0.30   0.01   0.25    -0.01  -0.00   0.01
    16   1     0.27   0.09  -0.01     0.26   0.19   0.24    -0.03   0.01  -0.01
    17   1    -0.32  -0.09   0.03     0.27  -0.00  -0.22     0.02  -0.00  -0.01
    18   1    -0.31  -0.10  -0.01    -0.25  -0.16  -0.21    -0.00  -0.01  -0.01
    19   1    -0.23  -0.05  -0.05     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    20   1     0.16   0.00   0.02     0.03   0.00   0.01    -0.00  -0.00   0.00
    21   1    -0.01   0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
    22   1    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    23   1     0.01   0.01  -0.00     0.01   0.01   0.01    -0.00  -0.00   0.00
    24   1    -0.00   0.01  -0.01    -0.00   0.00  -0.01     0.00  -0.00   0.00
    25   1     0.02  -0.01   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.02   0.00  -0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    27   1     0.01  -0.01  -0.02    -0.01  -0.01   0.00    -0.00  -0.00   0.00
    28   1    -0.27  -0.05   0.06    -0.02   0.01  -0.00     0.17  -0.16  -0.01
    29   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    30   1     0.00  -0.00   0.01     0.00   0.00  -0.01     0.04  -0.14   0.45
    31   1     0.01   0.01  -0.00     0.02   0.01  -0.00     0.03   0.05  -0.10
    32   1    -0.01  -0.02   0.01     0.02   0.00  -0.00    -0.04   0.05   0.01
    33   1    -0.00   0.02   0.02    -0.01   0.02  -0.02    -0.03   0.03   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3003.8332              3018.5224              3020.2666
 Red. masses --      1.0811                 1.0499                 1.0407
 Frc consts  --      5.7474                 5.6362                 5.5935
 IR Inten    --      3.1551                 8.3143                41.9392
 RamAct Fr= 1--    146.6988                14.9098                25.9263
  Dep-P Fr= 1--      0.2021                 0.5759                 0.3106
  Dep-U Fr= 1--      0.3363                 0.7309                 0.4740
 Alpha2 Fr= 1--      1.9811                 0.0488                 0.2575
 Beta2  Fr= 1--      8.2214                 1.8162                 2.0483
 AlphaG Fr= 1--      0.9824                 0.1634                -0.2737
 Gamma2 Fr= 1--     11.0128                -5.9048                 0.1139
 Delta2 Fr= 1--      6.3320                -1.9605                -3.2965
 Raman1 Fr= 1--     586.795                 59.639                103.705
 ROA1   Fr= 1--    1259.854               -629.594                -94.555
 CID1   Fr= 1--       2.147                -10.557                 -0.912
 Raman2 Fr= 1--      98.657                 21.794                 24.580
 ROA2   Fr= 1--     213.652               -126.031                 29.106
 CID2   Fr= 1--       2.166                 -5.783                  1.184
 Raman3 Fr= 1--     197.313                 43.588                 49.160
 ROA3   Fr= 1--    1259.854               -629.594                -94.555
 CID3   Fr= 1--       6.385                -14.444                 -1.923
 RC180  Fr= 1--      -0.327                  0.462                 -0.052
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.01  -0.00   0.02    -0.02  -0.04   0.02    -0.01  -0.02   0.01
     8   6     0.03   0.00  -0.07    -0.00  -0.00   0.01     0.00   0.00   0.00
     9   6    -0.00   0.00   0.01     0.00  -0.00  -0.00     0.01  -0.03  -0.03
    10   6    -0.00   0.00   0.01     0.03   0.01  -0.01    -0.03  -0.01   0.01
    11   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    16   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00    -0.01   0.00   0.01    -0.00  -0.00   0.00
    19   1     0.08   0.00  -0.23     0.17  -0.00  -0.50     0.09  -0.00  -0.27
    20   1    -0.00   0.02   0.01     0.05   0.51   0.21     0.02   0.25   0.11
    21   1    -0.34  -0.02   0.88     0.04   0.00  -0.09     0.00  -0.00  -0.01
    22   1     0.06  -0.00  -0.17    -0.02   0.00   0.06    -0.19   0.00   0.52
    23   1    -0.01   0.00  -0.00    -0.01   0.01  -0.01    -0.21   0.21  -0.21
    24   1    -0.00  -0.00   0.00     0.02   0.01  -0.00     0.27   0.10  -0.01
    25   1     0.05   0.01  -0.12    -0.17  -0.02   0.41     0.15   0.01  -0.36
    26   1     0.00  -0.04  -0.01     0.00  -0.31  -0.13    -0.00   0.27   0.11
    27   1    -0.02   0.02  -0.02    -0.17   0.18  -0.17     0.17  -0.17   0.16
    28   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    29   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.8157              3047.1468              3056.3522
 Red. masses --      1.0439                 1.0355                 1.1034
 Frc consts  --      5.6348                 5.6649                 6.0726
 IR Inten    --     49.2014                23.6922                15.5965
 RamAct Fr= 1--    428.1830               219.8895                30.1320
  Dep-P Fr= 1--      0.0084                 0.0626                 0.7309
  Dep-U Fr= 1--      0.0167                 0.1178                 0.8445
 Alpha2 Fr= 1--      9.3296                 4.2151                 0.0098
 Beta2  Fr= 1--      1.1928                 4.3157                 4.2413
 AlphaG Fr= 1--     -1.3524                -0.3474                -0.1226
 Gamma2 Fr= 1--     -1.3471                -0.1369                -1.6300
 Delta2 Fr= 1--     -0.0868                 3.7594                 1.1220
 Raman1 Fr= 1--    1712.732                879.558                120.528
 ROA1   Fr= 1--    -132.096                107.154               -120.579
 CID1   Fr= 1--      -0.077                  0.122                 -1.000
 Raman2 Fr= 1--      14.313                 51.789                 50.896
 ROA2   Fr= 1--     -31.635                -33.362                -48.097
 CID2   Fr= 1--      -2.210                 -0.644                 -0.945
 Raman3 Fr= 1--      28.627                103.578                101.792
 ROA3   Fr= 1--    -132.096                107.154               -120.579
 CID3   Fr= 1--      -4.614                  1.035                 -1.185
 RC180  Fr= 1--      -0.967                 -0.764                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   6     0.01   0.03  -0.01     0.00   0.00  -0.00     0.01  -0.05  -0.07
     8   6     0.01   0.00  -0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.01
     9   6     0.01  -0.03  -0.02    -0.00  -0.00  -0.00    -0.00  -0.01   0.01
    10   6     0.02   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.01   0.01
    11   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    15   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.01  -0.01
    16   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    17   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    19   1    -0.09   0.00   0.26    -0.00   0.00   0.00    -0.23  -0.02   0.66
    20   1    -0.03  -0.34  -0.14    -0.00  -0.00  -0.00     0.06   0.62   0.24
    21   1    -0.07  -0.00   0.18    -0.00  -0.00   0.00    -0.05  -0.00   0.13
    22   1    -0.17   0.00   0.47    -0.00   0.00   0.00     0.01   0.00  -0.04
    23   1    -0.21   0.20  -0.20     0.00  -0.00   0.00    -0.05   0.05  -0.04
    24   1     0.27   0.11  -0.01     0.00   0.00  -0.00     0.04   0.02   0.00
    25   1    -0.13  -0.01   0.31    -0.00  -0.00   0.00     0.04   0.01  -0.09
    26   1     0.00  -0.28  -0.12     0.00  -0.00  -0.00     0.00  -0.11  -0.04
    27   1    -0.17   0.17  -0.16    -0.00   0.00  -0.00    -0.03   0.03  -0.02
    28   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.03    -0.00  -0.00  -0.00
    29   6     0.00   0.00  -0.00    -0.02  -0.04   0.02    -0.00  -0.00   0.00
    30   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.00  -0.00  -0.00    -0.35   0.44   0.12    -0.00   0.00   0.00
    32   1     0.00   0.00   0.00    -0.10  -0.17  -0.42    -0.00  -0.00  -0.00
    33   1    -0.00  -0.00  -0.00     0.64   0.20   0.02     0.00   0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3071.0378              3077.6981              3084.2832
 Red. masses --      1.0840                 1.0993                 1.0992
 Frc consts  --      6.0238                 6.1353                 6.1610
 IR Inten    --      6.9053                10.4291                56.4491
 RamAct Fr= 1--     70.2181                24.1353               123.2583
  Dep-P Fr= 1--      0.2071                 0.7389                 0.4537
  Dep-U Fr= 1--      0.3431                 0.8498                 0.6242
 Alpha2 Fr= 1--      0.9358                 0.0046                 0.7443
 Beta2  Fr= 1--      4.0152                 3.4185                12.8237
 AlphaG Fr= 1--     -0.3777                -0.0264                -1.1866
 Gamma2 Fr= 1--     -3.9756               -10.0943                 4.6825
 Delta2 Fr= 1--     -2.2736                 4.4241               -18.1901
 Raman1 Fr= 1--     280.872                 96.541                493.033
 ROA1   Fr= 1--    -454.409               -827.486               -132.564
 CID1   Fr= 1--      -1.618                 -8.571                 -0.269
 Raman2 Fr= 1--      48.182                 41.022                153.885
 ROA2   Fr= 1--     -77.225               -277.657                257.901
 CID2   Fr= 1--      -1.603                 -6.768                  1.676
 Raman3 Fr= 1--      96.364                 82.044                307.770
 ROA3   Fr= 1--    -454.409               -827.486               -132.564
 CID3   Fr= 1--      -4.716                -10.086                 -0.431
 RC180  Fr= 1--      -0.314                  0.700                  0.248
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
     8   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.02
     9   6    -0.00  -0.00   0.00    -0.00  -0.03   0.05    -0.00   0.03  -0.06
    10   6     0.00   0.00   0.00    -0.00  -0.01  -0.07     0.01  -0.03  -0.05
    11   6    -0.02  -0.03  -0.07    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    15   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    16   1    -0.00   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    17   1    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00     0.00   0.00   0.00
    18   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.00  -0.01
    19   1    -0.00  -0.00   0.00    -0.01  -0.00   0.03    -0.04  -0.01   0.11
    20   1    -0.00  -0.00  -0.00     0.00   0.03   0.01     0.01   0.09   0.03
    21   1    -0.00  -0.00   0.00    -0.01  -0.00   0.03    -0.07  -0.00   0.19
    22   1    -0.00  -0.00   0.00     0.14  -0.01  -0.36    -0.16   0.02   0.41
    23   1    -0.00   0.00  -0.00    -0.29   0.29  -0.27     0.32  -0.31   0.29
    24   1     0.00   0.00  -0.00     0.16   0.06   0.01    -0.15  -0.06  -0.01
    25   1     0.00   0.00  -0.00    -0.21  -0.02   0.50    -0.17  -0.03   0.40
    26   1     0.00  -0.00  -0.00     0.00   0.35   0.13     0.00   0.44   0.18
    27   1    -0.00   0.00  -0.00     0.22  -0.22   0.19     0.06  -0.06   0.04
    28   1     0.23   0.34   0.89     0.00   0.00   0.00     0.00   0.00   0.00
    29   6     0.01   0.01   0.01    -0.00  -0.00   0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.01  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1    -0.03  -0.06  -0.15    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   1    -0.04  -0.01   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3090.0213              3103.5091              3110.7840
 Red. masses --      1.1014                 1.1002                 1.1023
 Frc consts  --      6.1961                 6.2436                 6.2849
 IR Inten    --     41.9023                34.0411                27.5370
 RamAct Fr= 1--    128.6230                57.2164               109.3161
  Dep-P Fr= 1--      0.6605                 0.7147                 0.6765
  Dep-U Fr= 1--      0.7955                 0.8336                 0.8070
 Alpha2 Fr= 1--      0.2054                 0.0349                 0.1421
 Beta2  Fr= 1--     17.0541                 7.9492                14.7032
 AlphaG Fr= 1--     -0.0094                -0.1442                 0.0810
 Gamma2 Fr= 1--      6.9489                -9.4155                -1.4976
 Delta2 Fr= 1--     12.6025                -0.9998                -4.1812
 Raman1 Fr= 1--     514.492                228.866                437.264
 ROA1   Fr= 1--    1070.371               -935.885               -277.574
 CID1   Fr= 1--       2.080                 -4.089                 -0.635
 Raman2 Fr= 1--     204.649                 95.390                176.438
 ROA2   Fr= 1--      65.953               -217.975                 -2.494
 CID2   Fr= 1--       0.322                 -2.285                 -0.014
 Raman3 Fr= 1--     409.299                190.781                352.876
 ROA3   Fr= 1--    1070.371               -935.885               -277.574
 CID3   Fr= 1--       2.615                 -4.906                 -0.787
 RC180  Fr= 1--       0.591                  0.667                  0.614
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     9   6    -0.00  -0.01   0.02    -0.09  -0.01  -0.01     0.00   0.00   0.00
    10   6     0.03  -0.08   0.03    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    19   1    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
    20   1     0.00   0.02   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   1     0.02   0.00  -0.05     0.01  -0.00  -0.03    -0.00   0.00   0.00
    22   1     0.04  -0.00  -0.12     0.04  -0.00  -0.17    -0.00   0.00   0.00
    23   1    -0.08   0.08  -0.08     0.24  -0.26   0.25    -0.00   0.00  -0.00
    24   1     0.08   0.03   0.00     0.81   0.34  -0.00    -0.01  -0.00   0.00
    25   1     0.05  -0.01  -0.10     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1     0.01   0.53   0.23    -0.00  -0.02  -0.01     0.00  -0.00  -0.00
    27   1    -0.46   0.44  -0.44     0.02  -0.02   0.02    -0.00   0.00  -0.00
    28   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.02   0.05
    29   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.09   0.02  -0.00
    30   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.40  -0.53  -0.14
    32   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.02   0.07   0.18
    33   1     0.00   0.00   0.00     0.01   0.00   0.00     0.67   0.23   0.01
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.5770              3160.0843              3160.7705
 Red. masses --      1.1014                 1.0875                 1.0868
 Frc consts  --      6.3556                 6.3984                 6.3973
 IR Inten    --     12.7840                19.3846                 3.1612
 RamAct Fr= 1--     28.9232                14.2166               105.2334
  Dep-P Fr= 1--      0.6640                 0.1597                 0.6929
  Dep-U Fr= 1--      0.7981                 0.2755                 0.8186
 Alpha2 Fr= 1--      0.0443                 0.2144                 0.1051
 Beta2  Fr= 1--      3.8472                 0.6527                14.3578
 AlphaG Fr= 1--      0.0056                 0.1762                 0.1364
 Gamma2 Fr= 1--     -0.0673                 1.4780                -3.4879
 Delta2 Fr= 1--      1.9257                 1.0161                 1.0913
 Raman1 Fr= 1--     115.693                 56.867                420.934
 ROA1   Fr= 1--      55.157                174.400               -299.921
 CID1   Fr= 1--       0.477                  3.067                 -0.713
 Raman2 Fr= 1--      46.166                  7.833                172.294
 ROA2   Fr= 1--     -17.021                 27.343                -92.440
 CID2   Fr= 1--      -0.369                  3.491                 -0.537
 Raman3 Fr= 1--      92.332                 15.665                344.587
 ROA3   Fr= 1--      55.157                174.400               -299.921
 CID3   Fr= 1--       0.597                 11.133                 -0.870
 RC180  Fr= 1--       0.596                 -0.449                  0.637
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.03  -0.03  -0.05    -0.02  -0.02  -0.03
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     3   6    -0.00   0.00   0.00    -0.01   0.01   0.02    -0.01   0.00   0.01
     4   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.01  -0.02  -0.03     0.02   0.02   0.04
     6   6     0.00  -0.00  -0.00    -0.02   0.01   0.03     0.03  -0.01  -0.04
     7   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.00   0.01   0.01     0.31   0.36   0.61     0.20   0.24   0.40
    16   1     0.02  -0.01  -0.03     0.17  -0.06  -0.26     0.10  -0.04  -0.16
    17   1    -0.01  -0.01  -0.01     0.16   0.18   0.33    -0.23  -0.25  -0.45
    18   1    -0.00   0.00   0.00     0.20  -0.06  -0.30    -0.33   0.10   0.50
    19   1    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.01  -0.00   0.01
    20   1     0.00   0.00   0.00     0.00   0.01   0.00     0.00   0.01   0.00
    21   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    22   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.01
    23   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    28   1     0.04   0.05   0.14     0.00   0.00   0.01    -0.01  -0.01  -0.02
    29   6    -0.01  -0.06  -0.07     0.00   0.00   0.00     0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    31   1    -0.28   0.34   0.08     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    32   1     0.18   0.29   0.78    -0.00  -0.00  -0.01    -0.00  -0.01  -0.02
    33   1     0.18   0.05  -0.01    -0.00  -0.00  -0.00    -0.01  -0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3177.2789              3183.8238              3723.2643
 Red. masses --      1.0937                 1.0931                 1.0639
 Frc consts  --      6.5051                 6.5285                 8.6899
 IR Inten    --     17.6225                 2.4970                65.6834
 RamAct Fr= 1--    114.7929               134.4757               125.5183
  Dep-P Fr= 1--      0.1446                 0.1339                 0.2428
  Dep-U Fr= 1--      0.2526                 0.2362                 0.3908
 Alpha2 Fr= 1--      1.7992                 2.1647                 1.5176
 Beta2  Fr= 1--      4.8330                 5.2948                 8.1752
 AlphaG Fr= 1--     -1.0293                 0.0483                -0.3001
 Gamma2 Fr= 1--     -6.2466                 4.6910                -5.1416
 Delta2 Fr= 1--     -2.2947                 0.9495                 0.1465
 Raman1 Fr= 1--     459.172                537.903                502.073
 ROA1   Fr= 1--    -673.104                480.721               -488.908
 CID1   Fr= 1--      -1.466                  0.894                 -0.974
 Raman2 Fr= 1--      57.995                 63.538                 98.103
 ROA2   Fr= 1--    -131.560                104.988               -124.571
 CID2   Fr= 1--      -2.268                  1.652                 -1.270
 Raman3 Fr= 1--     115.991                127.075                196.205
 ROA3   Fr= 1--    -673.104                480.721               -488.908
 CID3   Fr= 1--      -5.803                  3.783                 -2.492
 RC180  Fr= 1--      -0.495                 -0.528                 -0.218
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.02  -0.02  -0.03     0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.01  -0.00  -0.01     0.04  -0.01  -0.07    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.03  -0.03  -0.05     0.00   0.00   0.01     0.00   0.00  -0.00
     6   6     0.03  -0.01  -0.05    -0.01   0.00   0.01     0.00  -0.00  -0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.03  -0.05  -0.02
    15   1     0.01   0.01   0.01     0.15   0.17   0.29    -0.00  -0.00  -0.00
    16   1    -0.09   0.03   0.13    -0.49   0.17   0.75     0.00   0.00   0.00
    17   1     0.29   0.31   0.56    -0.04  -0.04  -0.08     0.00   0.00   0.00
    18   1    -0.37   0.12   0.57     0.06  -0.02  -0.10    -0.00   0.00   0.00
    19   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    20   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    21   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    22   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    27   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    28   1     0.01   0.01   0.02    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.54   0.80   0.24
    31   1    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    32   1     0.00   0.00   0.01     0.01   0.01   0.03     0.00  -0.00   0.00
    33   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1165.557297383.385407460.60428
           X            0.99997   0.00786   0.00163
           Y           -0.00785   0.99995  -0.00648
           Z           -0.00168   0.00646   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.07431     0.01173     0.01161
 Rotational constants (GHZ):           1.54839     0.24443     0.24190
 Zero-point vibrational energy     745942.0 (Joules/Mol)
                                  178.28441 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     34.95    55.20    66.41    72.39   101.38
          (Kelvin)            136.84   256.49   291.02   319.25   329.62
                              346.11   363.50   414.20   464.98   501.54
                              554.47   591.41   602.26   611.02   688.10
                              735.65   849.64   888.63   923.42   957.43
                             1028.92  1097.43  1148.58  1190.53  1206.52
                             1228.03  1230.53  1259.33  1291.31  1347.62
                             1372.41  1384.47  1398.70  1405.71  1459.29
                             1505.11  1560.07  1578.46  1592.10  1638.54
                             1651.78  1671.33  1717.68  1743.52  1759.28
                             1779.33  1795.04  1841.78  1883.80  1898.26
                             1941.96  1962.02  1974.76  1978.31  2003.55
                             2019.31  2037.03  2047.13  2100.47  2137.41
                             2144.08  2146.77  2154.80  2156.33  2164.17
                             2174.02  2232.39  2328.46  2385.93  2597.99
                             4321.85  4342.98  4345.49  4354.91  4384.16
                             4397.41  4418.54  4428.12  4437.60  4445.85
                             4465.26  4475.72  4502.76  4546.66  4547.64
                             4571.40  4580.81  5356.95
 
 Zero-point correction=                           0.284114 (Hartree/Particle)
 Thermal correction to Energy=                    0.299817
 Thermal correction to Enthalpy=                  0.300761
 Thermal correction to Gibbs Free Energy=         0.239359
 Sum of electronic and zero-point Energies=           -656.740262
 Sum of electronic and thermal Energies=              -656.724559
 Sum of electronic and thermal Enthalpies=            -656.723615
 Sum of electronic and thermal Free Energies=         -656.785017
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.138             58.751            129.232
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.529
 Vibrational            186.361             52.790             54.829
 Vibration     1          0.593              1.985              6.248
 Vibration     2          0.594              1.982              5.342
 Vibration     3          0.595              1.979              4.976
 Vibration     4          0.595              1.977              4.805
 Vibration     5          0.598              1.968              4.140
 Vibration     6          0.603              1.953              3.552
 Vibration     7          0.629              1.869              2.346
 Vibration     8          0.639              1.837              2.112
 Vibration     9          0.648              1.808              1.944
 Vibration    10          0.652              1.797              1.886
 Vibration    11          0.658              1.778              1.799
 Vibration    12          0.664              1.758              1.712
 Vibration    13          0.685              1.696              1.486
 Vibration    14          0.708              1.629              1.294
 Vibration    15          0.726              1.578              1.173
 Vibration    16          0.754              1.501              1.018
 Vibration    17          0.775              1.446              0.923
 Vibration    18          0.781              1.430              0.897
 Vibration    19          0.787              1.417              0.876
 Vibration    20          0.835              1.298              0.715
 Vibration    21          0.866              1.225              0.630
 Vibration    22          0.948              1.052              0.466
 Vibration    23          0.977              0.995              0.420
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.799330-110       -110.097274       -253.508342
 Total V=0       0.385578D+21         20.586113         47.401276
 Vib (Bot)       0.239569-124       -124.620569       -286.949464
 Vib (Bot)    1  0.852638D+01          0.930765          2.143165
 Vib (Bot)    2  0.539327D+01          0.731852          1.685152
 Vib (Bot)    3  0.448023D+01          0.651300          1.499674
 Vib (Bot)    4  0.410873D+01          0.613708          1.413115
 Vib (Bot)    5  0.292685D+01          0.466401          1.073928
 Vib (Bot)    6  0.215982D+01          0.334417          0.770024
 Vib (Bot)    7  0.112732D+01          0.052046          0.119840
 Vib (Bot)    8  0.984916D+00         -0.006601         -0.015199
 Vib (Bot)    9  0.890734D+00         -0.050252         -0.115710
 Vib (Bot)   10  0.860054D+00         -0.065474         -0.150760
 Vib (Bot)   11  0.814911D+00         -0.088890         -0.204677
 Vib (Bot)   12  0.771537D+00         -0.112643         -0.259371
 Vib (Bot)   13  0.665041D+00         -0.177152         -0.407907
 Vib (Bot)   14  0.580555D+00         -0.236157         -0.543771
 Vib (Bot)   15  0.529755D+00         -0.275925         -0.635341
 Vib (Bot)   16  0.467390D+00         -0.330320         -0.760591
 Vib (Bot)   17  0.430072D+00         -0.366459         -0.843803
 Vib (Bot)   18  0.419926D+00         -0.376827         -0.867677
 Vib (Bot)   19  0.411980D+00         -0.385124         -0.886781
 Vib (Bot)   20  0.350229D+00         -0.455648         -1.049169
 Vib (Bot)   21  0.318201D+00         -0.497299         -1.145073
 Vib (Bot)   22  0.255318D+00         -0.592918         -1.365244
 Vib (Bot)   23  0.237370D+00         -0.624574         -1.438136
 Vib (V=0)       0.115563D+07          6.062818         13.960154
 Vib (V=0)    1  0.904103D+01          0.956218          2.201773
 Vib (V=0)    2  0.591640D+01          0.772058          1.777728
 Vib (V=0)    3  0.500804D+01          0.699668          1.611045
 Vib (V=0)    4  0.463905D+01          0.666429          1.534509
 Vib (V=0)    5  0.346926D+01          0.540236          1.243940
 Vib (V=0)    6  0.271694D+01          0.434080          0.999505
 Vib (V=0)    7  0.173322D+01          0.238855          0.549983
 Vib (V=0)    8  0.160456D+01          0.205357          0.472851
 Vib (V=0)    9  0.152147D+01          0.182264          0.419679
 Vib (V=0)   10  0.149483D+01          0.174593          0.402015
 Vib (V=0)   11  0.145607D+01          0.163184          0.375744
 Vib (V=0)   12  0.141939D+01          0.152100          0.350224
 Vib (V=0)   13  0.133203D+01          0.124515          0.286707
 Vib (V=0)   14  0.126619D+01          0.102498          0.236011
 Vib (V=0)   15  0.122845D+01          0.089358          0.205754
 Vib (V=0)   16  0.118444D+01          0.073512          0.169267
 Vib (V=0)   17  0.115952D+01          0.064277          0.148003
 Vib (V=0)   18  0.115295D+01          0.061809          0.142320
 Vib (V=0)   19  0.114786D+01          0.059890          0.137903
 Vib (V=0)   20  0.111046D+01          0.045502          0.104773
 Vib (V=0)   21  0.109266D+01          0.038487          0.088620
 Vib (V=0)   22  0.106142D+01          0.025885          0.059603
 Vib (V=0)   23  0.105348D+01          0.022628          0.052103
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.286832D+07          6.457627         14.869236
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           866555444444444333333322222111110000999998888887776665544443332222221      
     2        87663109877542210                           051510999986210977651084321964309841776539755329616419172118428542207975432
     3        47100140481677094                           688214982060363353409908732428977464722478554978355281185915938319228500684
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXX XXXXXXXXXXX
     X             XXXX   XXX                             X  X           X            XX X X               X XXX                     
     X              XXX    XX                             X              X            XX X X                  XX                     
     X                X    X                              X              X            X  X X                  X                      
     X                                                    X                           X                       X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000003321    0.000001557   -0.000001837
      2        6          -0.000002768   -0.000002496   -0.000003269
      3        6          -0.000001158   -0.000002431    0.000000219
      4        6           0.000011513    0.000005212    0.000000872
      5        6          -0.000008156    0.000002405   -0.000000196
      6        6           0.000003995    0.000003986   -0.000000756
      7        6           0.000001382    0.000012073   -0.000005762
      8        6           0.000001388    0.000001951    0.000000595
      9        6           0.000001265   -0.000005127   -0.000000404
     10        6           0.000005557   -0.000000273    0.000000035
     11        6          -0.000013397   -0.000014004    0.000006066
     12        6           0.000003451    0.000002078    0.000005816
     13        8           0.000000120   -0.000001064   -0.000001362
     14        8          -0.000001811    0.000003700   -0.000005881
     15        1           0.000000443   -0.000000785    0.000001092
     16        1           0.000001767   -0.000000461    0.000000654
     17        1           0.000001582   -0.000001735    0.000000304
     18        1          -0.000001630   -0.000001367    0.000000024
     19        1          -0.000001435   -0.000003148    0.000003747
     20        1          -0.000003296   -0.000003116    0.000001059
     21        1           0.000001435   -0.000002146   -0.000003834
     22        1          -0.000000642    0.000002588    0.000000597
     23        1           0.000000172   -0.000000913    0.000000236
     24        1          -0.000000024   -0.000000065    0.000000979
     25        1          -0.000002550   -0.000000838    0.000000184
     26        1           0.000000322   -0.000000240   -0.000000068
     27        1           0.000001257    0.000000900    0.000001073
     28        1           0.000002953    0.000000409    0.000001112
     29        6          -0.000002643    0.000006267   -0.000006788
     30        1           0.000001747   -0.000002503    0.000001501
     31        1           0.000000826    0.000000266    0.000001842
     32        1          -0.000000020   -0.000000715    0.000001787
     33        1           0.000001678    0.000000035    0.000000360
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000014004 RMS     0.000003633
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.220720D+03  0.915228D+01 -0.424760D+01
      2   0.915228D+01  0.139373D+03  0.710839D+01
      3  -0.424760D+01  0.710839D+01  0.152418D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.599265D+01 -0.164309D+01 -0.699494D+01
      2  -0.405135D+02 -0.146415D+02 -0.404960D+02
      3   0.266265D+02  0.592815D+02  0.783346D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.272777D+03 -0.698347D+02 -0.500652D+02
      2   0.145584D+03  0.672085D+02  0.183958D+01
      3   0.127193D+03  0.262617D+01  0.482256D+02
      4  -0.699484D+00 -0.110268D+03 -0.255621D+02
      5  -0.460304D+02 -0.233077D+02 -0.847513D+02
      6  -0.495615D+01 -0.232412D+02  0.202988D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.867093D+01  0.220327D+01 -0.540973D+00 -0.298891D+00 -0.113563D+00
      2   0.220327D+01 -0.206939D+00  0.419350D+00 -0.113563D+00 -0.372808D+01
      3  -0.540973D+00  0.419350D+00 -0.166347D+01  0.151534D+01 -0.145160D+01
                 6             7             8             9            10 
      1   0.151534D+01 -0.110435D+02 -0.853232D+00  0.205708D+00 -0.283119D+02
      2  -0.145160D+01 -0.853232D+00 -0.162591D+00  0.124919D+01 -0.300306D+01
      3   0.885234D+00  0.205708D+00  0.124919D+01 -0.162293D+01 -0.381487D+00
                11            12            13            14            15 
      1  -0.300306D+01 -0.381487D+00 -0.607794D+01 -0.475322D+01  0.127310D+01
      2  -0.201931D+01 -0.578335D+00 -0.475322D+01 -0.285021D+01  0.351484D+00
      3  -0.578335D+00 -0.275057D+01  0.127310D+01  0.351484D+00 -0.655521D+00
                16            17            18            19            20 
      1  -0.776753D+00  0.149343D+01 -0.107130D+01 -0.693554D+01 -0.238523D+01
      2   0.149343D+01  0.612977D+00 -0.425880D-01 -0.238523D+01  0.211308D+01
      3  -0.107130D+01 -0.425880D-01  0.163379D+01  0.263385D+00  0.130170D+01
                21            22            23            24            25 
      1   0.263385D+00 -0.713448D+01  0.183152D+00  0.453397D+00 -0.999826D+01
      2   0.130170D+01  0.183152D+00 -0.131041D+01 -0.165367D+01 -0.249443D+01
      3   0.118228D+01  0.453397D+00 -0.165367D+01  0.190033D+01  0.179875D+00
                26            27            28            29            30 
      1  -0.249443D+01  0.179875D+00  0.245453D+02  0.392551D+01 -0.114434D+01
      2  -0.129506D+01  0.126000D+01  0.392551D+01  0.253769D+01  0.595169D-01
      3   0.126000D+01 -0.230647D+01 -0.114434D+01  0.595169D-01  0.251153D+01
                31            32            33            34            35 
      1   0.327974D+01  0.516276D+01 -0.129707D+01 -0.716305D+00 -0.962835D+00
      2   0.516276D+01  0.205402D+01 -0.676887D+00 -0.962835D+00 -0.161406D+01
      3  -0.129707D+01 -0.676887D+00  0.166935D+01  0.995879D+00  0.216558D+00
                36            37            38            39            40 
      1   0.995879D+00 -0.105272D+02 -0.262944D+01  0.111570D+01 -0.233250D+00
      2   0.216558D+00 -0.262944D+01  0.353278D-01 -0.556388D+00  0.734117D+00
      3   0.954724D+00  0.111570D+01 -0.556388D+00  0.344902D+01 -0.167749D+01
                41            42            43            44            45 
      1   0.734117D+00 -0.167749D+01  0.120582D+02  0.713939D+00 -0.125682D+01
      2   0.382224D+01  0.189260D+01  0.713939D+00  0.837908D+00 -0.140364D+01
      3   0.189260D+01 -0.939699D+00 -0.125682D+01 -0.140364D+01  0.120474D+01
                46            47            48            49            50 
      1   0.867187D+01  0.239581D+01 -0.651600D+00  0.949611D+01 -0.648102D+00
      2   0.239581D+01 -0.185869D+01 -0.123300D+01 -0.648102D+00  0.103650D+01
      3  -0.651600D+00 -0.123300D+01 -0.229854D+01 -0.290058D+00  0.204165D+01
                51            52            53            54            55 
      1  -0.290058D+00  0.961333D+01  0.220761D+01  0.104352D+01  0.156885D+02
      2   0.204165D+01  0.220761D+01  0.139085D+01 -0.130667D+01 -0.671005D+00
      3  -0.326332D+01  0.104352D+01 -0.130667D+01  0.142151D+01  0.121642D+01
                56            57            58            59            60 
      1  -0.671005D+00  0.121642D+01 -0.465285D+01  0.438730D+01 -0.131744D+01
      2   0.148194D+01 -0.658162D+00  0.438730D+01  0.591936D+01  0.180432D+01
      3  -0.658162D+00  0.210872D+01 -0.131744D+01  0.180432D+01 -0.290987D-01
                61            62            63            64            65 
      1   0.738918D+01 -0.967239D+00  0.416681D+01 -0.271011D+01  0.450644D+01
      2  -0.967239D+00  0.293385D+01  0.985173D+00  0.450644D+01 -0.762381D+00
      3   0.416681D+01  0.985173D+00 -0.450315D+01  0.146009D+00  0.135256D+01
                66            67            68            69            70 
      1   0.146009D+00  0.121816D+02 -0.172822D+01  0.234910D+01 -0.581096D+01
      2   0.135256D+01 -0.172822D+01 -0.455691D+01 -0.201421D+01  0.134451D+01
      3  -0.330835D+01  0.234910D+01 -0.201421D+01  0.402088D+00 -0.516757D+01
                71            72            73            74            75 
      1   0.134451D+01 -0.516757D+01 -0.344779D+01 -0.487895D+01  0.738645D+00
      2  -0.291575D+01  0.126842D+00 -0.487895D+01  0.107381D+01 -0.136734D+01
      3   0.126842D+00  0.612249D+01  0.738645D+00 -0.136734D+01  0.298850D+01
                76            77            78            79            80 
      1  -0.579037D+01  0.122210D+01 -0.174944D+01  0.161484D+01 -0.172001D+01
      2   0.122210D+01  0.196465D+01  0.261002D+01 -0.172001D+01  0.365009D+01
      3  -0.174944D+01  0.261002D+01 -0.102509D+01  0.408141D+01 -0.175025D+01
                81            82            83            84            85 
      1   0.408141D+01 -0.255833D+01 -0.413449D+01  0.238590D-01 -0.640719D+01
      2  -0.175025D+01 -0.413449D+01  0.596949D+00 -0.174080D+01  0.224716D+01
      3  -0.440853D+01  0.238590D-01 -0.174080D+01  0.354083D+01 -0.219332D+01
                86            87            88            89            90 
      1   0.224716D+01 -0.219332D+01  0.133671D+01 -0.179996D+01  0.530951D+01
      2   0.500334D+01  0.350906D+01 -0.179996D+01  0.343938D+01  0.301724D+00
      3   0.350906D+01 -0.245949D+00  0.530951D+01  0.301724D+00 -0.318580D+01
                91            92            93            94            95 
      1  -0.298942D+01  0.458418D+00 -0.723693D+00  0.353372D+01 -0.570215D+01
      2   0.458418D+00 -0.250549D+01  0.404478D+00 -0.570215D+01 -0.613942D+00
      3  -0.723693D+00  0.404478D+00 -0.135864D+01  0.105702D+01  0.126659D+01
                96            97            98            99           100 
      1   0.105702D+01  0.237426D+01  0.153438D+01 -0.235533D+01 -0.132746D+01
      2   0.126659D+01  0.153438D+01  0.305892D+01 -0.337842D+01 -0.348756D+00
      3  -0.275940D+01 -0.235533D+01 -0.337842D+01 -0.307063D+01  0.189682D+01
               101           102           103           104           105 
      1  -0.348756D+00  0.189682D+01 -0.846960D+00  0.187377D+01 -0.581619D+00
      2   0.159655D+01 -0.186158D-01  0.187377D+01 -0.238354D+01 -0.143599D+00
      3  -0.186158D-01 -0.739094D+00 -0.581619D+00 -0.143599D+00  0.152004D+01
               106           107           108           109           110 
      1   0.326408D+01 -0.129662D+01 -0.195489D+01  0.443376D+01 -0.113623D+01
      2  -0.129662D+01  0.310147D+00  0.222763D+01 -0.113623D+01  0.414159D+00
      3  -0.195489D+01  0.222763D+01  0.335681D+01 -0.368885D+01  0.290062D+00
               111           112           113           114           115 
      1  -0.368885D+01 -0.244306D+01  0.153275D+01  0.876879D+00 -0.803128D+01
      2   0.290062D+00  0.153275D+01 -0.140978D+01 -0.216959D+01  0.156911D+01
      3   0.219470D+01  0.876879D+00 -0.216959D+01 -0.174950D+01  0.386334D+01
               116           117           118           119           120 
      1   0.156911D+01  0.386334D+01 -0.786302D+00  0.150045D+01  0.143159D+01
      2  -0.283094D+01 -0.144500D+01  0.150045D+01 -0.278034D+01  0.188761D+00
      3  -0.144500D+01 -0.851313D+01  0.143159D+01  0.188761D+00  0.362933D-01
               121           122           123           124           125 
      1   0.216738D+01 -0.267551D+01  0.226267D+00  0.434484D+01 -0.128496D+01
      2  -0.267551D+01  0.296866D+01  0.110950D+01 -0.128496D+01  0.219524D+01
      3   0.226267D+00  0.110950D+01 -0.680869D-01  0.176336D+01 -0.193440D+01
               126           127           128           129           130 
      1   0.176336D+01 -0.206960D+01 -0.117422D+01 -0.170316D+01 -0.161531D+01
      2  -0.193440D+01 -0.117422D+01 -0.102704D+01 -0.108372D+01 -0.916346D+00
      3   0.441611D+01 -0.170316D+01 -0.108372D+01 -0.148188D+01 -0.153100D+01
               131           132           133           134           135 
      1  -0.916346D+00 -0.153100D+01 -0.195700D+01 -0.121872D+01 -0.213216D+01
      2  -0.152709D+01 -0.169783D+01 -0.121872D+01 -0.232672D+01 -0.281253D+01
      3  -0.169783D+01 -0.270754D+01 -0.213216D+01 -0.281253D+01 -0.545806D+01
               136           137           138           139           140 
      1   0.383674D+01 -0.325168D+00 -0.215548D+01 -0.615532D+00  0.188359D+00
      2  -0.325168D+00  0.469019D+00  0.221934D+00  0.188359D+00 -0.533556D+00
      3  -0.215548D+01  0.221934D+00  0.207601D+01  0.630490D+00 -0.504016D+00
               141           142           143           144           145 
      1   0.630490D+00 -0.269345D+01  0.704358D+00  0.285692D+01  0.215677D+01
      2  -0.504016D+00  0.704358D+00 -0.102977D+01 -0.117623D+01  0.129575D+01
      3  -0.160924D+01  0.285692D+01 -0.117623D+01 -0.513232D+01  0.185133D+01
               146           147           148           149           150 
      1   0.129575D+01  0.185133D+01  0.127235D+01  0.798466D+00  0.151004D+01
      2   0.100960D+01  0.113724D+01  0.798466D+00  0.114923D+01  0.154745D+01
      3   0.113724D+01  0.190360D+01  0.151004D+01  0.154745D+01  0.296361D+01
               151           152           153           154           155 
      1   0.184786D+01  0.120101D+01  0.233803D+01 -0.317337D+01  0.284435D+00
      2   0.120101D+01  0.214476D+01  0.277987D+01  0.284435D+00 -0.323330D+00
      3   0.233803D+01  0.277987D+01  0.638525D+01  0.259892D+01 -0.210259D+00
               156           157           158           159           160 
      1   0.259892D+01  0.123215D+00 -0.216125D+00 -0.494516D+00  0.310831D+01
      2  -0.210259D+00 -0.216125D+00  0.313839D+00  0.496435D+00 -0.764654D+00
      3  -0.300501D+01 -0.494516D+00  0.496435D+00  0.170911D+01 -0.334171D+01
               161           162           163           164           165 
      1  -0.764654D+00 -0.334171D+01 -0.215093D+01 -0.954671D-01  0.174726D+01
      2   0.960720D+00  0.114308D+01 -0.954671D-01 -0.658149D+00  0.610485D+00
      3   0.114308D+01  0.666235D+01  0.174726D+01  0.610485D+00 -0.169968D+01
               166           167           168           169           170 
      1   0.164447D+01 -0.729458D+00  0.276983D+00  0.369061D+01  0.780601D+00
      2  -0.729458D+00 -0.993365D+00  0.787357D+00  0.780601D+00  0.119940D+01
      3   0.276983D+00  0.787357D+00 -0.177506D+00 -0.225110D+01 -0.150564D+01
               171           172           173           174           175 
      1  -0.225110D+01 -0.172619D+01 -0.139493D+01 -0.651497D+00 -0.322097D+01
      2  -0.150564D+01 -0.139493D+01 -0.934462D+00  0.111766D-01 -0.272616D+01
      3   0.584534D+01 -0.651497D+00  0.111766D-01 -0.279411D+00 -0.306099D+00
               176           177           178           179           180 
      1  -0.272616D+01 -0.306099D+00 -0.423772D+01 -0.846408D+00 -0.116051D+01
      2  -0.866171D+01 -0.103222D+01 -0.846408D+00 -0.237540D+01 -0.133438D+01
      3  -0.103222D+01 -0.827608D+00 -0.116051D+01 -0.133438D+01 -0.436552D+00
               181           182           183           184           185 
      1   0.178102D+01 -0.718003D+00 -0.143366D+01 -0.141789D+01  0.279239D+00
      2  -0.718003D+00  0.447563D+00 -0.255315D+00  0.279239D+00  0.559748D+00
      3  -0.143366D+01 -0.255315D+00  0.138238D+01 -0.196503D+00 -0.736660D+00
               186           187           188           189           190 
      1  -0.196503D+00 -0.229656D+01 -0.218007D+00  0.114535D+01 -0.140474D+01
      2  -0.736660D+00 -0.218007D+00 -0.975375D+00  0.218882D-01  0.100713D+01
      3   0.145641D+00  0.114535D+01  0.218882D-01 -0.697980D+01  0.146400D+01
               191           192           193           194           195 
      1   0.100713D+01  0.146400D+01  0.519719D+00 -0.588610D+00  0.294237D-02
      2  -0.914728D+00 -0.300682D+00 -0.588610D+00  0.460838D+00  0.705913D+00
      3  -0.300682D+00 -0.191319D+01  0.294237D-02  0.705913D+00  0.332505D+00
               196           197           198           199           200 
      1   0.240199D+01 -0.608809D+00 -0.231811D+01 -0.415648D+01  0.330331D+01
      2  -0.608809D+00  0.166493D+01  0.155140D+01  0.330331D+01 -0.298400D+01
      3  -0.231811D+01  0.155140D+01  0.624250D+01 -0.155706D+01  0.106192D+01
               201           202           203           204           205 
      1  -0.155706D+01  0.298989D+01 -0.311432D+01  0.123490D+01 -0.277877D+01
      2   0.106192D+01 -0.311432D+01  0.462198D+01 -0.191607D+01  0.195267D+01
      3  -0.146399D+01  0.123490D+01 -0.191607D+01  0.133176D+01 -0.209610D+01
               206           207           208           209           210 
      1   0.195267D+01 -0.209610D+01  0.817408D+01  0.173536D+01  0.216080D+00
      2  -0.307518D+01  0.193215D+01  0.173536D+01  0.262178D+01  0.147024D+00
      3   0.193215D+01 -0.180095D+01  0.216080D+00  0.147024D+00  0.455505D+00
               211           212           213           214           215 
      1   0.123652D+01  0.178863D+01  0.112700D+00  0.347317D+00  0.525371D-01
      2   0.178863D+01  0.203851D+01 -0.154972D+00  0.525371D-01 -0.402135D+00
      3   0.112700D+00 -0.154972D+00  0.556363D+00  0.190094D+00  0.706302D+00
               216           217           218           219           220 
      1   0.190094D+00 -0.324781D+01 -0.106657D+00  0.188521D+01  0.391404D+00
      2   0.706302D+00 -0.106657D+00 -0.613397D+00  0.405670D+00 -0.105008D+01
      3   0.391119D+00  0.188521D+01  0.405670D+00 -0.196059D+01  0.333972D+00
               221           222           223           224           225 
      1  -0.105008D+01  0.333972D+00  0.449530D+01  0.928744D+00 -0.334120D+01
      2  -0.839996D+00  0.497773D+00  0.928744D+00  0.109557D+01 -0.642947D+00
      3   0.497773D+00 -0.177930D+00 -0.334120D+01 -0.642947D+00  0.536720D+01
               226           227           228           229           230 
      1  -0.278059D+00 -0.929426D+00 -0.463855D+00 -0.244695D+01 -0.256861D+01
      2  -0.929426D+00 -0.485172D+00 -0.716939D-01 -0.256861D+01 -0.791739D+01
      3  -0.463855D+00 -0.716939D-01 -0.432569D+00 -0.727495D+00 -0.253308D+01
               231           232           233           234           235 
      1  -0.727495D+00 -0.125778D+01 -0.652052D+00 -0.135157D+01 -0.665027D+01
      2  -0.253308D+01 -0.652052D+00 -0.258789D+01 -0.178377D+01  0.197965D+01
      3  -0.180419D+01 -0.135157D+01 -0.178377D+01 -0.141724D+01 -0.265384D+01
               236           237           238           239           240 
      1   0.197965D+01 -0.265384D+01  0.501824D+01 -0.215564D+01  0.181455D+01
      2  -0.126214D+01  0.904015D+00 -0.215564D+01  0.169610D+01 -0.152171D+01
      3   0.904015D+00 -0.206677D+01  0.181455D+01 -0.152171D+01  0.157488D+01
               241           242           243           244           245 
      1  -0.445460D+01  0.108426D+01 -0.337980D+01 -0.234105D-01  0.309126D+00
      2   0.108426D+01 -0.158670D+01  0.100276D+01  0.309126D+00  0.716868D+00
      3  -0.337980D+01  0.100276D+01 -0.261959D+01  0.176473D+01  0.389219D+00
               246           247           248           249           250 
      1   0.176473D+01  0.483918D+00  0.133295D+01  0.540340D+00  0.295440D+01
      2   0.389219D+00  0.133295D+01  0.174826D+01  0.122818D+01  0.706345D+00
      3   0.109342D+01  0.540340D+00  0.122818D+01  0.177435D+01  0.175887D+01
               251           252           253           254           255 
      1   0.706345D+00  0.175887D+01 -0.816849D+01 -0.555731D+01  0.785816D+00
      2   0.164918D+01  0.167433D+01 -0.555731D+01  0.179886D+01  0.419029D+00
      3   0.167433D+01  0.523763D+01  0.785816D+00  0.419029D+00  0.990534D+00
               256           257           258           259           260 
      1  -0.216389D+01  0.335485D+01 -0.574348D+00 -0.308956D+01 -0.106128D+01
      2   0.335485D+01 -0.572711D+00 -0.207269D+01 -0.106128D+01 -0.357513D+01
      3  -0.574348D+00 -0.207269D+01  0.290473D+01  0.226738D+01  0.283901D+01
               261           262           263           264           265 
      1   0.226738D+01  0.366737D+01 -0.287131D+01  0.853358D+00 -0.376195D+01
      2   0.283901D+01 -0.287131D+01  0.295810D+01 -0.588581D+00  0.407108D+01
      3   0.264585D+01  0.853358D+00 -0.588581D+00  0.826295D+00 -0.779338D+00
               266           267           268           269           270 
      1   0.407108D+01 -0.779338D+00 -0.883359D+00  0.872514D+00  0.413046D+00
      2  -0.583709D+01  0.104544D+01  0.872514D+00 -0.962444D+00 -0.439661D+00
      3   0.104544D+01 -0.124747D+01  0.413046D+00 -0.439661D+00  0.316853D+00
               271           272           273           274           275 
      1  -0.144599D+01  0.216319D+01  0.121420D+00  0.194754D+01 -0.157984D+01
      2   0.216319D+01 -0.343665D+01  0.242725D+00 -0.157984D+01  0.669059D+01
      3   0.121420D+00  0.242725D+00 -0.795465D+00 -0.564575D-01  0.170441D-03
               276           277           278           279           280 
      1  -0.564575D-01  0.811846D+00 -0.184672D-01 -0.529092D+00  0.366731D+00
      2   0.170441D-03 -0.184672D-01  0.147590D+01  0.544567D+00  0.197937D+00
      3   0.682812D+00 -0.529092D+00  0.544567D+00 -0.655390D-02 -0.882490D+00
               281           282           283           284           285 
      1   0.197937D+00 -0.882490D+00 -0.614856D+00 -0.536618D+00  0.421848D-01
      2  -0.459144D+00  0.335219D-01 -0.536618D+00 -0.860482D+00 -0.306305D+00
      3   0.335219D-01 -0.793064D+00  0.421848D-01 -0.306305D+00 -0.122233D+01
               286           287           288           289           290 
      1  -0.159687D+01 -0.345832D+00  0.119510D-01  0.120964D+02  0.509389D+01
      2  -0.345832D+00 -0.128029D+01 -0.795764D-02  0.509389D+01  0.336007D+01
      3   0.119510D-01 -0.795764D-02 -0.622032D+01 -0.148858D+01 -0.937495D+00
               291           292           293           294           295 
      1  -0.148858D+01  0.345654D+01  0.264589D+01 -0.478015D+00 -0.304052D-01
      2  -0.937495D+00  0.264589D+01  0.254840D+01 -0.308837D+00 -0.325071D-01
      3   0.127066D+01 -0.478015D+00 -0.308837D+00  0.156672D+00  0.111624D+01
               296           297 
      1  -0.325071D-01  0.111624D+01
      2   0.375603D+00  0.401592D+00
      3   0.401592D+00 -0.522244D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.202573D+01  0.821346D+00 -0.250111D+01  0.555902D+01  0.767712D+00
      2  -0.129351D+02  0.235653D+01  0.822173D+01  0.372060D+01 -0.555798D+00
      3  -0.316216D+01 -0.355142D+01 -0.393599D+01  0.122086D+02  0.552185D-01
                 6             7             8             9            10 
      1  -0.300581D+01 -0.449933D+01  0.263357D+01  0.538096D+00 -0.497924D+01
      2  -0.581619D+00  0.316784D+01 -0.130074D+01 -0.390014D+01  0.172524D+02
      3  -0.337284D+01 -0.123135D+01  0.710625D+00  0.448898D+01  0.216105D+01
                11            12            13            14            15 
      1   0.408463D+00  0.153214D+01  0.859992D+00 -0.499980D+01 -0.718016D+01
      2   0.152189D+01 -0.262799D+01 -0.290487D+00  0.197898D+01 -0.178958D+01
      3   0.104509D+01  0.762849D+00  0.126567D+02 -0.353593D+00 -0.113878D+01
                16            17            18            19            20 
      1   0.818873D+01 -0.612971D+00  0.406892D+01 -0.616895D+00 -0.111046D+01
      2  -0.210079D+02 -0.176756D+01  0.317377D+01  0.859835D+01  0.284133D+01
      3   0.521791D+01 -0.186783D+01 -0.358717D+01 -0.458442D+01 -0.106965D+01
                21            22            23            24            25 
      1   0.722138D+00 -0.703598D+01 -0.346146D+01 -0.207238D+01  0.118100D+01
      2   0.533114D+01  0.717136D+01  0.367091D+01  0.160886D+01  0.142070D+01
      3  -0.626976D+00  0.110625D+02  0.278845D+01  0.244286D+01 -0.496044D+01
                26            27            28            29            30 
      1   0.265492D+01 -0.175338D+01  0.250414D+01  0.253820D+01  0.374008D+01
      2   0.167520D+01  0.118663D+01 -0.142479D+02 -0.364275D+01 -0.582404D+00
      3  -0.132623D+00 -0.175146D+01 -0.373440D+01 -0.836486D+00  0.170618D+01
                31            32            33            34            35 
      1   0.603305D+01 -0.193927D+01 -0.764551D+01  0.617337D+01 -0.498198D+00
      2  -0.538611D+01 -0.516831D+01 -0.165089D+01 -0.213897D+02 -0.252081D+01
      3   0.880756D+01  0.455116D+01 -0.211133D+00  0.238447D+01  0.261767D+01
                36            37            38            39            40 
      1   0.380413D+01 -0.383022D+01  0.133520D+00 -0.113622D+01  0.419415D+01
      2   0.255355D+01  0.599171D+01  0.493870D+01  0.457727D+01  0.387546D+01
      3  -0.306696D+01 -0.159353D+01 -0.263605D+01 -0.360257D+01  0.100345D+02
                41            42            43            44            45 
      1   0.385558D+01 -0.102223D+01 -0.567383D+00  0.305913D+01 -0.199617D+00
      2   0.783901D+00 -0.215812D-01 -0.132537D+02 -0.273807D+01  0.162839D+00
      3  -0.858330D+00 -0.372070D+01  0.140798D+01 -0.149412D+01  0.331241D+01
                46            47            48            49            50 
      1   0.449493D+01 -0.224665D+01 -0.855027D+00 -0.623851D+01 -0.855239D+00
      2  -0.708808D+01 -0.214383D+01  0.436259D+01 -0.498743D+01  0.310948D+00
      3  -0.437213D+01 -0.109180D+01 -0.363879D+00  0.903171D+01  0.233498D+01
                51            52            53            54            55 
      1  -0.213244D+01  0.465181D+01  0.382911D+01 -0.601766D+00  0.438232D+01
      2   0.237036D+01 -0.101996D+02 -0.140377D+01 -0.630059D+00 -0.857743D+01
      3   0.335748D+01 -0.610928D+01  0.959747D+00 -0.149325D+01 -0.117367D+02
                56            57            58            59            60 
      1  -0.129871D+01  0.146648D+01 -0.342527D+01  0.681869D+01 -0.156178D+01
      2   0.152910D+01 -0.348046D+01  0.467402D+01 -0.104778D+02 -0.165743D+00
      3   0.266613D+01 -0.253292D+01  0.261651D+02  0.151521D+02  0.797431D+01
                61            62            63            64            65 
      1   0.508820D+01  0.407214D+01 -0.585685D+01 -0.460594D+01  0.514773D+00
      2  -0.257252D+02 -0.315282D+01  0.161616D+02  0.416501D+01 -0.416216D+01
      3  -0.893926D+01  0.100986D+02 -0.230898D+01  0.246202D+02 -0.778919D+01
                66            67            68            69            70 
      1  -0.264508D+00  0.469597D+00  0.127934D+01 -0.176941D+01 -0.409441D+01
      2   0.179669D+02 -0.106594D+02  0.100355D+02  0.318103D+00  0.193787D+02
      3   0.606225D+01 -0.730159D+01 -0.176746D+02 -0.899504D+01  0.113104D+02
                71            72            73            74            75 
      1   0.520984D+01 -0.634005D+00 -0.477780D+00  0.314774D+01 -0.597424D+01
      2  -0.712588D+00 -0.306702D+02 -0.177285D+01  0.717344D+01 -0.101421D+02
      3  -0.115502D+02  0.254825D+01 -0.287829D+02 -0.873440D+01 -0.508605D+01
                76            77            78            79            80 
      1   0.357416D+01 -0.720190D+01  0.469128D+00 -0.801941D+01  0.667261D+01
      2   0.885238D+01 -0.103533D+02  0.450462D+01 -0.188735D+02  0.736205D+01
      3  -0.225578D+01  0.887632D+01  0.763347D+01 -0.650438D+01  0.108967D+02
                81            82            83            84            85 
      1   0.844774D+01  0.252502D+01 -0.124608D+01  0.358878D+01 -0.267364D+01
      2   0.177880D+02 -0.240067D+01  0.738809D+01 -0.184130D+02  0.934524D+01
      3  -0.159848D+01 -0.214334D+02  0.467184D+01 -0.975416D+01  0.223119D+02
                86            87            88            89            90 
      1  -0.251109D+00 -0.368619D+01  0.547495D+01  0.280291D+00 -0.189971D+01
      2  -0.196114D+02 -0.118103D+01 -0.344989D+02 -0.356994D+01  0.205210D+02
      3   0.283252D+02  0.221063D+02 -0.103486D+02  0.205132D+02 -0.234156D+01
                91            92            93            94            95 
      1  -0.192385D+01 -0.320422D+00  0.235378D+01  0.119685D+01 -0.774904D+00
      2   0.849105D-01  0.108581D+01  0.124971D+00  0.185414D+01  0.600819D+01
      3  -0.108646D+02  0.278853D+01 -0.846842D+00  0.320311D+02 -0.174803D+01
                96            97            98            99           100 
      1  -0.946806D+00  0.551435D+01  0.771044D+01  0.268243D+01  0.206847D+01
      2  -0.101234D+02 -0.156675D+02 -0.120256D+02 -0.108640D+02  0.144088D+01
      3  -0.460602D+01 -0.143141D+01 -0.736060D+01  0.854468D+01  0.226822D+02
               101           102           103           104           105 
      1   0.305363D+01 -0.561686D+01 -0.674304D+00  0.111220D+01 -0.368882D+01
      2  -0.509986D+00  0.908938D+00 -0.101445D+00 -0.152099D+01  0.139437D+02
      3  -0.113688D+02  0.188681D+01 -0.200744D+01 -0.483622D+01 -0.677113D+00
               106           107           108           109           110 
      1  -0.422109D+01 -0.398653D+01  0.157188D+01 -0.193517D+01 -0.303927D+01
      2  -0.721350D+01  0.945183D+01  0.171868D+02 -0.113119D+02  0.104572D+01
      3   0.612801D+01 -0.472342D+01 -0.758351D+01 -0.197617D+01 -0.396864D+01
               111           112           113           114           115 
      1   0.272278D+01 -0.675409D+00  0.445723D+00 -0.286446D+01  0.542157D+00
      2   0.108497D+02 -0.531267D+00 -0.851139D+01 -0.972420D+01  0.600949D+01
      3  -0.566967D+00 -0.470509D+01  0.938041D+01  0.881012D+01 -0.851331D+01
               116           117           118           119           120 
      1   0.750643D+01 -0.611305D+01  0.312720D+01 -0.141270D+01  0.727147D+00
      2  -0.483527D+01 -0.359171D+02  0.649169D+01 -0.101225D+01  0.220983D+01
      3   0.127153D+02  0.653837D+01 -0.724715D+01  0.752924D+01 -0.250179D+01
               121           122           123           124           125 
      1  -0.198912D+01  0.288431D+01 -0.223195D+01 -0.290743D+01  0.669615D+01
      2   0.112928D+01  0.705948D+01 -0.227975D+01  0.977471D-01 -0.506213D+01
      3   0.892083D+01 -0.698409D+01 -0.475471D+01  0.467604D+01 -0.868749D+01
               126           127           128           129           130 
      1   0.489059D+01 -0.609422D+00  0.130985D+01 -0.482818D+00 -0.812432D+00
      2   0.182092D+02 -0.395334D+01 -0.619656D+00 -0.552112D+00 -0.172565D+01
      3   0.618130D+01  0.225459D+01 -0.168819D+00  0.690326D+00  0.322501D+01
               131           132           133           134           135 
      1   0.344442D+00 -0.324171D+01 -0.826184D+00  0.233576D+01 -0.244980D+01
      2   0.198874D+00  0.544896D+00 -0.349250D+01  0.338523D+00  0.188657D+01
      3  -0.912365D+00  0.246632D+00  0.188545D+01 -0.163973D+01 -0.300639D+00
               136           137           138           139           140 
      1  -0.120615D+01 -0.173343D+01  0.182723D+01  0.626713D-01  0.160033D+00
      2   0.673044D+01 -0.470201D+00 -0.977829D+00  0.636100D+00  0.141052D+00
      3  -0.318044D+01 -0.843207D+00  0.138867D+01  0.110409D+01  0.604420D+00
               141           142           143           144           145 
      1  -0.182445D+01  0.779100D+00  0.307595D+01 -0.106094D+01  0.144337D+01
      2  -0.881099D+00 -0.440666D+01  0.990242D-01 -0.102009D+01 -0.481492D+01
      3  -0.383024D+00  0.142173D+01  0.169115D+01 -0.944703D+00  0.833297D+00
               146           147           148           149           150 
      1   0.247347D+01  0.549853D+00  0.167739D+00  0.142358D+01 -0.157669D+01
      2  -0.149077D+01 -0.973842D+00 -0.262846D+01 -0.703999D+00 -0.468423D+00
      3  -0.811720D+00  0.564189D-02  0.209583D+01 -0.624777D+00 -0.711752D-01
               151           152           153           154           155 
      1   0.748861D+00  0.440756D+01  0.446471D+00  0.795950D-01 -0.206730D+01
      2  -0.397735D+01 -0.524583D+00  0.469947D+00  0.626737D+01 -0.408507D+00
      3   0.634083D+00 -0.215215D+01 -0.875298D+00 -0.122552D+01 -0.124650D+01
               156           157           158           159           160 
      1   0.698797D+00  0.179010D+00  0.462601D+00 -0.120002D+01 -0.157588D+01
      2  -0.994382D+00  0.684848D+00  0.412428D-01 -0.104416D+01 -0.564015D+01
      3   0.551233D+00  0.153856D+01  0.443123D+00  0.638727D-01 -0.706316D-02
               161           162           163           164           165 
      1   0.401847D+01  0.133486D+01  0.206748D+01 -0.247344D+00 -0.189312D+01
      2   0.602544D+00 -0.892263D+00 -0.522156D+01 -0.193526D+01  0.623240D+01
      3   0.190797D+01 -0.360094D+00  0.269289D+01 -0.307742D+01 -0.124535D+00
               166           167           168           169           170 
      1   0.752306D+00  0.201276D+00 -0.880678D+00 -0.216410D+01  0.145583D+01
      2  -0.195675D+01 -0.166308D+01  0.546271D-01  0.125477D+01  0.407691D+01
      3  -0.146506D+01 -0.221451D+01  0.168469D+01 -0.170503D+01  0.356835D+01
               171           172           173           174           175 
      1   0.738351D+01 -0.136055D+01 -0.313707D+00 -0.100800D+01 -0.141476D+01
      2  -0.182926D+02  0.391703D+01  0.712242D+00  0.260603D+01  0.246575D+01
      3  -0.107722D+01 -0.191960D+01 -0.229837D+01  0.462761D+00 -0.184085D+01
               176           177           178           179           180 
      1  -0.500028D+01 -0.418792D+01 -0.194706D+01 -0.191344D+01 -0.147772D+01
      2   0.641940D+01  0.345588D+01  0.400691D+01  0.481801D+01  0.134619D+01
      3  -0.239973D+02 -0.246666D+01  0.177593D+01 -0.703119D+01 -0.249296D+01
               181           182           183           184           185 
      1   0.142543D+01 -0.118706D+01 -0.319448D-01 -0.386566D+00 -0.540413D+00
      2   0.100615D+02  0.447253D+00 -0.691068D+01 -0.187218D+00  0.343483D+01
      3  -0.296960D+01  0.112484D+01 -0.633871D+00  0.337946D+01  0.229765D+01
               186           187           188           189           190 
      1  -0.608165D+00 -0.358817D+00  0.317505D+01  0.508616D+00 -0.287568D+01
      2  -0.395578D+00 -0.111962D+02 -0.119333D+00  0.296973D+02 -0.544337D+01
      3  -0.282368D+01 -0.605473D+00 -0.319657D+01  0.172639D+00  0.254919D+01
               191           192           193           194           195 
      1  -0.295496D+00  0.389282D+01  0.683354D-01 -0.113285D+01 -0.170664D+01
      2   0.117314D+01  0.807364D+01 -0.116757D+00 -0.244244D+01 -0.888676D+00
      3  -0.327281D+01  0.798731D+00 -0.195405D+00  0.747716D+00  0.241708D+01
               196           197           198           199           200 
      1   0.422774D+01  0.390648D+00 -0.124695D+02  0.286569D+01 -0.158246D+01
      2   0.508406D+01 -0.583067D+01 -0.252028D+02  0.621283D+01 -0.455659D+01
      3   0.180993D+01  0.698247D+01  0.309242D+01  0.615794D+01 -0.884125D+01
               201           202           203           204           205 
      1   0.429579D+01 -0.300022D+01  0.298073D+01 -0.430686D+01  0.409709D+01
      2   0.770802D+01 -0.480220D+01  0.802617D+01 -0.664238D+01  0.736935D+01
      3   0.172430D+01 -0.467516D+01  0.147636D+02 -0.536453D+01  0.271013D+01
               206           207           208           209           210 
      1  -0.185818D+01  0.404405D+01 -0.159485D+01 -0.412554D+00 -0.210071D+01
      2  -0.789877D+01  0.779426D+01 -0.230835D+01 -0.972327D+00 -0.665439D+00
      3  -0.103853D+02  0.461460D+01  0.270813D+02  0.121130D+02  0.130084D+01
               211           212           213           214           215 
      1  -0.664129D+00  0.425616D+00 -0.195750D+01 -0.173477D+01 -0.604832D-01
      2  -0.105738D+01  0.434279D+00 -0.949397D+00 -0.370828D+01 -0.237270D+01
      3   0.123357D+02  0.101163D+02 -0.361982D+00  0.167403D+01 -0.132540D+01
               216           217           218           219           220 
      1  -0.112588D+01  0.142596D+01 -0.131897D+00 -0.185482D+01  0.639198D+00
      2  -0.155547D+01 -0.115997D+02 -0.235152D+01  0.132628D+02 -0.182084D+01
      3   0.326261D+01  0.161758D+01 -0.452212D+01  0.811799D+00 -0.451083D+01
               221           222           223           224           225 
      1   0.543231D+00 -0.115189D+01 -0.240742D+01  0.164444D+01  0.421704D+01
      2  -0.297667D+01  0.130832D+01  0.173757D+02  0.373923D+01 -0.329615D+02
      3  -0.380481D+01  0.222366D+01  0.165607D+01  0.642552D+01 -0.807459D+00
               226           227           228           229           230 
      1   0.415305D+00  0.264522D+00 -0.404766D+00  0.856888D+00  0.372609D+01
      2   0.278673D+01 -0.191602D+00  0.263530D+01  0.168047D+01  0.130860D+02
      3  -0.521775D+01 -0.284876D+01 -0.133503D+00 -0.834689D+01 -0.416837D+02
               231           232           233           234           235 
      1  -0.246593D+01 -0.567329D+00  0.143529D+01 -0.613544D+00 -0.293806D+01
      2   0.102581D+02  0.507373D+01  0.940435D+01  0.677656D+01  0.101041D+02
      3  -0.133189D+02 -0.181801D+01 -0.140213D+02 -0.840509D+01  0.143787D+02
               236           237           238           239           240 
      1   0.220407D+01 -0.131371D+01  0.232559D+01 -0.279785D+01  0.779261D+00
      2  -0.382313D+01  0.123638D+02 -0.668997D+01  0.741639D+01 -0.871418D+01
      3  -0.107098D+02  0.672029D+01 -0.130414D+02  0.116763D+02 -0.958688D+01
               241           242           243           244           245 
      1  -0.235361D+01  0.326721D+01 -0.153484D+01 -0.199873D+01 -0.184454D-01
      2   0.145496D+02 -0.498674D+01  0.131684D+02  0.606420D+01  0.154398D+01
      3   0.815944D+01 -0.107896D+02  0.758460D+01 -0.963848D+00 -0.271643D+01
               246           247           248           249           250 
      1  -0.123735D+01 -0.487545D+00 -0.300359D+00 -0.241049D+01 -0.132799D+01
      2   0.349285D+01  0.142551D+01  0.324547D+01  0.583965D+01  0.739778D+00
      3   0.215427D+00 -0.203100D+01 -0.418025D+01 -0.306931D+01  0.297392D+00
               251           252           253           254           255 
      1   0.130965D+01 -0.531613D+01  0.365095D+01 -0.371285D+01 -0.461534D+01
      2   0.495011D+01  0.164475D+02 -0.578733D+01 -0.475859D+01  0.752056D+01
      3  -0.425449D+01 -0.393018D+01  0.205079D+01 -0.200930D+02 -0.265617D-02
               256           257           258           259           260 
      1  -0.772608D+00  0.780009D+01 -0.703253D+01 -0.424663D+01 -0.109942D+01
      2  -0.655307D+01 -0.583413D+01  0.102084D+02  0.717106D+01  0.107722D+02
      3  -0.158410D+02  0.772452D+01  0.678998D+01  0.919256D+00  0.104209D+02
               261           262           263           264           265 
      1  -0.114636D+02 -0.230420D+01  0.273545D+01  0.869157D+00  0.376076D+01
      2   0.115885D+02  0.129565D+00  0.273491D+00  0.301959D+01  0.443177D+00
      3  -0.661782D+01  0.746128D+01 -0.980487D+01  0.247251D+01 -0.112071D+02
               266           267           268           269           270 
      1  -0.511864D+01 -0.117459D+01  0.588124D+00 -0.576199D+00 -0.922940D+00
      2   0.378988D+00 -0.471494D+01  0.137473D+01 -0.190710D+01  0.259671D+00
      3   0.208637D+02 -0.338360D+01 -0.262406D+01  0.365103D+01  0.145540D+01
               271           272           273           274           275 
      1  -0.274177D+01  0.281810D+01  0.332620D+01  0.199091D+01 -0.632780D+01
      2  -0.158443D+01  0.256492D+01 -0.148804D+01  0.194485D+01 -0.207563D+01
      3  -0.124029D+02  0.139721D+02  0.136157D+00  0.115456D+02 -0.237200D+02
               276           277           278           279           280 
      1  -0.342526D+01  0.215195D+01 -0.121478D+01 -0.913164D+00  0.269924D+01
      2   0.102238D+01 -0.229342D+01  0.113592D+01 -0.550448D+00 -0.419021D+01
      3  -0.448937D+00  0.237011D+01 -0.449886D+01 -0.295143D+01 -0.363933D+00
               281           282           283           284           285 
      1   0.123567D+01  0.225084D+01  0.116853D+01  0.380794D+01  0.272118D+01
      2  -0.536722D+00 -0.342807D+01 -0.227572D+01 -0.181944D+01 -0.452169D+01
      3   0.135624D+01 -0.139174D+01  0.193402D+01  0.184481D+01  0.897974D+00
               286           287           288           289           290 
      1   0.130061D+01  0.457894D+01  0.146900D+02 -0.120233D+01 -0.128197D+01
      2  -0.429577D+01 -0.102105D+01 -0.202834D+02  0.481273D+01  0.547430D+00
      3  -0.158345D+01  0.307349D+01 -0.203892D+00  0.660416D+01 -0.464429D+01
               291           292           293           294           295 
      1  -0.327347D+01 -0.148255D+01 -0.189453D+01 -0.121071D+01 -0.230315D+01
      2   0.596864D+01  0.186702D+01  0.104378D+01  0.130047D+01  0.242315D+01
      3   0.853605D+00 -0.621676D+00 -0.437064D+01 -0.200036D-01 -0.572488D-01
               296           297 
      1   0.796269D-01  0.133222D+01
      2   0.741720D+00 -0.151153D+01
      3  -0.112191D+01  0.901910D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.478502D+01 -0.473203D+01 -0.204481D+02  0.970123D+01 -0.118392D+02
      2  -0.961645D+00 -0.137385D+00  0.379983D+01 -0.667718D+00  0.194760D+02
      3   0.574667D+01  0.486942D+01  0.166483D+02 -0.903351D+01 -0.763680D+01
      4  -0.697898D+01 -0.352181D+01 -0.842072D+01  0.282182D+01 -0.170936D+01
      5  -0.191029D+02 -0.694888D+01  0.827476D+00 -0.697641D+01 -0.237259D+01
      6  -0.101725D+02 -0.242807D+00 -0.514951D+00 -0.305754D+01  0.537928D+00
                 6             7             8             9            10 
      1  -0.385618D+01  0.275106D+02  0.107300D+02  0.148728D+02  0.508803D+02
      2   0.775498D+01 -0.652070D+01 -0.673029D+00 -0.629710D+01 -0.191005D+02
      3  -0.389880D+01 -0.209899D+02 -0.100570D+02 -0.857569D+01 -0.317799D+02
      4  -0.146189D+01  0.437693D+01  0.193867D+01 -0.386516D+01  0.412649D+01
      5  -0.687075D+01  0.136578D+02 -0.375413D+01 -0.444701D+01  0.704994D+01
      6   0.168213D+01 -0.578423D+01 -0.366915D+01 -0.118613D+02  0.831997D+00
                11            12            13            14            15 
      1   0.363093D+01  0.451777D+01  0.100336D+01 -0.334944D+01 -0.708860D+01
      2   0.521770D+00  0.270516D+01  0.374515D+01  0.811983D+01  0.296701D+01
      3  -0.415270D+01 -0.722293D+01 -0.474851D+01 -0.477038D+01  0.412160D+01
      4   0.129652D+01  0.319794D+01  0.141086D+02  0.391503D+01  0.374696D+00
      5   0.423593D+01  0.617386D+01 -0.967978D+01  0.924890D+00  0.162016D+01
      6   0.140952D+00  0.243689D+01 -0.740883D+01 -0.566782D+01  0.938919D+01
                16            17            18            19            20 
      1   0.107007D+02 -0.806848D+01 -0.179749D+02  0.412240D+01  0.123575D+02
      2  -0.574871D+01 -0.454362D+01  0.124720D+01  0.550951D+01 -0.952640D+01
      3  -0.495203D+01  0.126121D+02  0.167277D+02 -0.963192D+01 -0.283111D+01
      4  -0.126815D+02  0.831814D-01 -0.202504D+01  0.221977D+01  0.575022D+01
      5  -0.143302D+02 -0.557630D+00 -0.255588D+01  0.194751D+02  0.347102D+01
      6  -0.360040D+01  0.657810D+00  0.673695D+01  0.736534D+01 -0.192004D+01
                21            22            23            24            25 
      1   0.215360D+02 -0.810605D+01 -0.262253D+01  0.156269D+02 -0.196681D+02
      2  -0.939167D+01 -0.245227D+01  0.669489D+01  0.271778D+00  0.295599D+01
      3  -0.121443D+02  0.105583D+02 -0.407236D+01 -0.158986D+02  0.167121D+02
      4   0.486880D+01  0.710614D+01 -0.608884D+01 -0.219059D+00 -0.225473D+01
      5  -0.482105D+01  0.917301D+01  0.170674D+01  0.612037D+00  0.999381D+01
      6  -0.507231D+01  0.354127D+01 -0.299778D+00  0.412501D+01  0.125388D+02
                26            27            28            29            30 
      1   0.461598D+01  0.634912D+01  0.673265D+01  0.156378D+01 -0.277777D+01
      2  -0.739171D+00  0.104283D+01  0.782387D+00  0.725657D+00 -0.119009D+01
      3  -0.387681D+01 -0.739195D+01 -0.751504D+01 -0.228944D+01  0.396785D+01
      4  -0.313217D+00  0.738702D+01  0.622115D+01  0.474277D+01  0.521556D+00
      5   0.631472D+01  0.635992D+01 -0.102284D+01  0.515891D+00  0.756651D+01
      6   0.631465D+01 -0.798698D+01 -0.662605D+01  0.220636D+01  0.221291D+01
                31            32            33            34            35 
      1  -0.726274D+01 -0.273222D+01 -0.790545D+01  0.477046D+01 -0.575220D+01
      2   0.623346D+01  0.535892D+01  0.128691D-01 -0.617125D+01 -0.787075D+01
      3   0.102928D+01 -0.262670D+01  0.789259D+01  0.140079D+01  0.136229D+02
      4   0.166873D+02 -0.805561D-01 -0.294015D+01 -0.118320D+02 -0.657856D+01
      5  -0.133517D+02 -0.255878D+01  0.279950D+01 -0.156495D+02 -0.210741D+00
      6  -0.189150D+01 -0.373783D+01  0.786203D+01 -0.664424D+01  0.864484D-01
                36            37            38            39            40 
      1  -0.226001D+02  0.102619D+02 -0.204007D+01 -0.256559D+02  0.650869D+01
      2   0.485647D+01 -0.905600D+01 -0.146798D+01  0.322516D+01  0.379637D+01
      3   0.177436D+02 -0.120587D+01  0.350806D+01  0.224307D+02 -0.103051D+02
      4   0.303685D+00 -0.951484D+01 -0.523259D+01 -0.911174D+01  0.894779D+01
      5   0.152227D+01 -0.910199D+01 -0.641514D+01 -0.431107D+01 -0.526121D+01
      6   0.781448D+01 -0.713247D+01  0.105123D+01 -0.482227D+01 -0.262063D+01
                41            42            43            44            45 
      1  -0.102634D+02  0.189169D+00  0.179622D+02  0.882530D+01  0.102422D+02
      2   0.140452D+02  0.777984D+01 -0.307266D+00  0.367334D+01 -0.593414D+01
      3  -0.378178D+01 -0.796901D+01 -0.176550D+02 -0.124986D+02 -0.430810D+01
      4   0.324446D+00 -0.147237D+01  0.975448D+00  0.454024D+01 -0.476635D+01
      5  -0.107212D+01 -0.108469D+02  0.838038D+01 -0.547338D+01 -0.355416D+01
      6   0.358152D+01  0.600361D+01 -0.831019D+01 -0.238912D+01 -0.137370D+02
                46            47            48            49            50 
      1  -0.587652D+01  0.784267D+01  0.212419D+02 -0.245970D+02 -0.401030D+01
      2   0.925824D+01 -0.387256D+01 -0.837650D+01  0.757696D+01  0.402820D+01
      3  -0.338172D+01 -0.397011D+01 -0.128654D+02  0.170200D+02 -0.178993D-01
      4  -0.368784D-01  0.789333D+01  0.433563D+01  0.108395D+02 -0.410560D+01
      5   0.122603D+02  0.102823D+01 -0.959654D+01  0.447545D+01 -0.234039D+01
      6   0.476974D+01 -0.448240D+01 -0.727884D+01  0.100376D+01 -0.113778D+01
                51            52            53            54            55 
      1   0.203008D+02 -0.305063D+02  0.433009D+01 -0.756030D+00 -0.488338D+02
      2   0.805173D+00  0.449853D+01  0.299053D+00  0.381263D+01  0.210573D+02
      3  -0.211060D+02  0.260078D+02 -0.462914D+01 -0.305660D+01  0.277766D+02
      4  -0.371399D+00 -0.451656D+01 -0.151012D+01  0.569142D+01  0.924176D+01
      5   0.177575D+01  0.937806D+00  0.508560D+01  0.835130D+01 -0.782213D+01
      6   0.940210D+01  0.100927D+02  0.786394D+01 -0.113642D+02 -0.235580D+01
                56            57            58            59            60 
      1   0.102590D+02 -0.643636D+01  0.460893D+02 -0.112810D+01  0.127624D+02
      2  -0.597299D+01  0.451575D+00 -0.323993D+02 -0.176170D+02 -0.110831D+02
      3  -0.428600D+01  0.598478D+01 -0.136901D+02  0.187451D+02 -0.167926D+01
      4  -0.103259D+02  0.502813D+01 -0.265740D+02 -0.386070D+02 -0.120897D+02
      5   0.467785D+01 -0.158504D+02  0.115013D+02 -0.122672D+02  0.268905D+00
      6   0.125194D+01 -0.388303D+01  0.184967D-02 -0.636506D+01 -0.789267D+00
                61            62            63            64            65 
      1  -0.357193D+02  0.108053D+02 -0.159146D+02 -0.175795D+02 -0.396829D+02
      2   0.897262D+01 -0.124098D+02  0.133417D+02  0.139076D+02  0.197027D+02
      3   0.267467D+02  0.160447D+01  0.257292D+01  0.367188D+01  0.199802D+02
      4   0.859699D+01 -0.189797D+02 -0.747358D+01 -0.436811D+02  0.522806D+01
      5  -0.334485D+02 -0.679137D+01  0.342783D+02 -0.515362D+01 -0.126208D+02
      6  -0.683552D+01 -0.359039D+01  0.938670D+01 -0.321586D+01 -0.235096D+01
                66            67            68            69            70 
      1  -0.929890D+01 -0.802044D+02  0.126854D+02 -0.150095D+02  0.134663D+02
      2   0.361901D+00  0.425290D+02 -0.823807D+01  0.656316D+01 -0.694262D+01
      3   0.893700D+01  0.376753D+02 -0.444735D+01  0.844633D+01 -0.652369D+01
      4  -0.113554D+02  0.136246D+02  0.377243D+02  0.173953D+02 -0.141836D+02
      5   0.243106D+02 -0.228393D+02  0.184505D+02 -0.191589D+01  0.452100D+02
      6  -0.175657D+01  0.236121D+01 -0.630412D+00  0.656413D-01 -0.116020D+00
                71            72            73            74            75 
      1  -0.100125D+02  0.476205D+02  0.383101D+02  0.359266D+02 -0.283795D+01
      2   0.287930D+01 -0.134272D+02 -0.310617D+02 -0.155882D+02 -0.391395D+01
      3   0.713317D+01 -0.341933D+02 -0.724844D+01 -0.203384D+02  0.675190D+01
      4   0.216203D+02 -0.132304D+01  0.317957D+02 -0.202618D+02  0.129954D+02
      5  -0.627465D+00 -0.465620D+02 -0.506664D+01  0.130287D+02 -0.250083D+02
      6   0.479719D+01  0.322457D+00  0.755155D+01 -0.456455D+01  0.122648D+02
                76            77            78            79            80 
      1   0.411942D+02 -0.173560D+02  0.627234D+01 -0.618598D+01  0.867313D+01
      2  -0.180477D+02  0.120604D+02  0.385098D+01 -0.591038D+01  0.410601D+01
      3  -0.231465D+02  0.529566D+01 -0.101233D+02  0.120964D+02 -0.127791D+02
      4  -0.247254D+02 -0.119286D+02 -0.245756D+02  0.160038D+02 -0.331057D+02
      5   0.155363D+02 -0.233287D+02  0.862270D+01 -0.363472D+02  0.158544D+02
      6  -0.814458D+01  0.126026D+02 -0.405741D+01  0.142003D+02 -0.823854D+01
                81            82            83            84            85 
      1  -0.275686D+02  0.238699D+02  0.445621D+02  0.114406D+01  0.638836D+02
      2   0.165580D+02 -0.642611D+01 -0.255708D+02  0.301953D+01 -0.380939D+02
      3   0.110105D+02 -0.174438D+02 -0.189913D+02 -0.416358D+01 -0.257897D+02
      4   0.229409D+02  0.477602D+02 -0.559055D+01  0.197586D+02 -0.223809D+02
      5   0.383657D+02 -0.260106D+01  0.217969D+02 -0.407495D+02  0.284276D+02
      6  -0.121772D+02  0.630437D+01 -0.864313D+00 -0.889725D+00 -0.559291D+01
                86            87            88            89            90 
      1  -0.858752D+01  0.282806D+02 -0.680402D+01  0.237442D+02 -0.568537D+02
      2  -0.477419D+00 -0.198365D+02  0.653508D+01 -0.170833D+02  0.287415D+02
      3   0.906493D+01 -0.844409D+01  0.268944D+00 -0.666087D+01  0.281122D+02
      4  -0.503508D+02 -0.369476D+02  0.213619D+02 -0.342045D+02 -0.341229D+01
      5  -0.396398D+02  0.358398D+01 -0.631027D+02 -0.181263D+01  0.337443D+02
      6  -0.126958D+02 -0.774274D+01 -0.242084D+01 -0.766350D+01  0.528762D+01
                91            92            93            94            95 
      1   0.103819D+02  0.167530D+02 -0.727496D+01  0.275124D+02 -0.139093D+02
      2  -0.316397D+01 -0.121553D+02  0.457888D+01 -0.178614D+02  0.483632D+01
      3  -0.721798D+01 -0.459778D+01  0.269608D+01 -0.965102D+01  0.907296D+01
      4   0.119886D+02 -0.108256D+02  0.404060D+00 -0.380542D+02 -0.273627D+01
      5  -0.608910D+01  0.401544D+00 -0.694542D+01  0.737186D+01  0.655892D+01
      6   0.936522D-02  0.954617D+00 -0.557845D+01  0.495968D+01  0.741779D+01
                96            97            98            99           100 
      1  -0.270722D+01  0.287375D+00 -0.476754D+01  0.105640D+01 -0.352922D+01
      2   0.432211D+01  0.619719D+01  0.112369D+02 -0.242488D+01  0.459070D+01
      3  -0.161488D+01 -0.648457D+01 -0.646940D+01  0.136848D+01 -0.106147D+01
      4   0.651494D+01  0.820900D+01  0.161059D+02 -0.239762D+02  0.320096D+01
      5  -0.194986D+02 -0.145244D+02 -0.228497D+02 -0.230507D+02  0.151465D+02
      6  -0.991423D+01 -0.124508D+02 -0.125651D+02 -0.803940D+01 -0.129378D+01
               101           102           103           104           105 
      1  -0.478271D+01  0.941821D+01  0.625181D+01  0.154922D+02 -0.242295D+01
      2   0.386882D+01 -0.658808D+01 -0.742442D+01 -0.627818D+01  0.241307D+01
      3   0.913894D+00 -0.283013D+01  0.117261D+01 -0.921403D+01  0.987871D-02
      4   0.828376D+01 -0.892677D+00  0.137906D+02 -0.776010D+01 -0.179973D+00
      5  -0.554943D+00 -0.132521D+02 -0.265593D+01  0.833615D-01  0.263836D+02
      6   0.270122D+00  0.811789D+01 -0.152045D+01  0.179103D+01 -0.636727D+01
               106           107           108           109           110 
      1   0.241688D+02 -0.425327D+01 -0.146907D+02  0.430004D+02 -0.889823D+01
      2  -0.121656D+02 -0.103164D+01  0.129003D+02 -0.252937D+02  0.396916D+01
      3  -0.120032D+02  0.528490D+01  0.179038D+01 -0.177067D+02  0.492907D+01
      4  -0.101820D+02  0.763420D+01  0.191816D+02 -0.147112D+02  0.113152D+02
      5  -0.307114D+02  0.191325D+02  0.296140D+02 -0.367020D+02  0.333845D+01
      6   0.104336D+02 -0.115352D+02 -0.572816D+01  0.719022D+01 -0.298558D+01
               111           112           113           114           115 
      1  -0.267380D+02 -0.126952D+02  0.122595D+01  0.222497D+00 -0.446399D+02
      2   0.177448D+02  0.384709D+01  0.385254D+01 -0.623490D+00  0.272857D+02
      3   0.899328D+01  0.884808D+01 -0.507849D+01  0.400993D+00  0.173542D+02
      4   0.572013D+01  0.192220D+02 -0.158559D+02 -0.181723D+02  0.173545D+02
      5   0.299263D+02  0.926499D+01 -0.186712D+02 -0.193794D+02  0.437756D+02
      6  -0.588690D+01 -0.400599D+01  0.862780D+01  0.145242D+02 -0.720830D+01
               116           117           118           119           120 
      1   0.401317D+01  0.125411D+02  0.333022D+01  0.679894D+01  0.151083D+02
      2  -0.167496D+01 -0.227585D+02 -0.100654D+02  0.341924D+01 -0.103189D+02
      3  -0.233821D+01  0.102173D+02  0.673513D+01 -0.102182D+02 -0.478947D+01
      4  -0.252904D+02 -0.130929D+02  0.139907D+02 -0.190743D+02 -0.136434D+01
      5  -0.129217D+02 -0.753775D+02  0.137668D+02  0.216753D+01  0.978919D+01
      6   0.138368D+02  0.198401D+02 -0.821876D+00 -0.159977D+01 -0.116159D+01
               121           122           123           124           125 
      1   0.157701D+02 -0.247587D+02  0.632384D+01  0.249563D+02 -0.619770D+00
      2   0.877998D+00  0.761736D+01 -0.479563D+01 -0.144490D+02 -0.207394D+01
      3  -0.166481D+02  0.171413D+02 -0.152820D+01 -0.105073D+02  0.269371D+01
      4  -0.215693D+02  0.259656D+02  0.780298D+01 -0.160451D+02  0.198933D+02
      5   0.350923D+00  0.724698D+01 -0.477079D+01  0.273479D+02 -0.167823D+02
      6  -0.136025D+01 -0.494680D+01  0.851635D+01 -0.703719D+01  0.137428D+02
               126           127           128           129           130 
      1   0.371045D+01  0.174321D+00 -0.275513D+01 -0.197331D+01 -0.810742D+00
      2  -0.127688D+02 -0.102416D+01  0.257915D+01 -0.248136D+00  0.110189D+00
      3   0.905830D+01  0.849844D+00  0.175976D+00  0.222145D+01  0.700553D+00
      4  -0.141765D+02  0.432997D+01  0.430675D+01  0.433231D+01  0.410789D+01
      5   0.411778D+02  0.782049D+01  0.468703D+01  0.846045D+01  0.592652D+01
      6  -0.141993D+02  0.543627D+01  0.452959D+01  0.602523D+01  0.488274D+01
               131           132           133           134           135 
      1  -0.768242D+01 -0.833071D+01 -0.346751D+01 -0.111589D+02 -0.192170D+02
      2   0.453502D+01  0.137353D+01 -0.138786D+01  0.471239D+01 -0.284141D+00
      3   0.314740D+01  0.695717D+01  0.485537D+01  0.644656D+01  0.195012D+02
      4   0.523518D+01  0.407231D+01  0.437664D+01  0.418913D+01  0.485694D+01
      5   0.574601D+01  0.791815D+01  0.972462D+01  0.656167D+01  0.143664D+02
      6   0.912535D+01  0.103260D+02  0.668037D+01  0.126518D+02  0.175818D+02
               136           137           138           139           140 
      1   0.489481D+01 -0.195268D+00  0.172369D+01  0.115415D+01 -0.238333D+01
      2  -0.588129D+01  0.421844D+00  0.374438D+01  0.707636D+00  0.331603D+00
      3   0.986484D+00 -0.226576D+00 -0.546808D+01 -0.186179D+01  0.205173D+01
      4  -0.492027D+01  0.304514D+01  0.255538D+01  0.229713D+01 -0.177788D+01
      5  -0.993051D+01  0.143500D+01  0.904622D+01  0.265716D+01 -0.237380D+01
      6   0.115486D+01 -0.195267D+01 -0.117858D+01 -0.186261D+01  0.251865D+01
               141           142           143           144           145 
      1  -0.450244D+01  0.426361D+01 -0.375004D+01 -0.139571D+02 -0.276417D+01
      2  -0.774461D+00  0.383089D+01  0.598531D+00 -0.694618D+01 -0.251650D+01
      3   0.527690D+01 -0.809450D+01  0.315150D+01  0.209033D+02  0.528067D+01
      4  -0.229774D+01  0.429453D+01 -0.446089D+01 -0.613186D+01  0.443659D+01
      5  -0.239924D+01  0.113970D+02 -0.294849D+01 -0.151615D+02  0.100676D+02
      6   0.370004D+01 -0.353567D+01  0.559757D+01  0.689046D+01  0.597046D+01
               146           147           148           149           150 
      1  -0.354550D+01 -0.536208D+01 -0.377208D+01 -0.806855D+01 -0.121901D+02
      2   0.974528D+00 -0.220067D+01 -0.110859D+01  0.189363D+01 -0.138628D+01
      3   0.257097D+01  0.756275D+01  0.488067D+01  0.617492D+01  0.135763D+02
      4   0.432047D+01  0.400523D+01  0.299996D+01  0.367755D+01  0.323885D+01
      5   0.565633D+01  0.117451D+02  0.653841D+01  0.546422D+01  0.936071D+01
      6   0.527489D+01  0.675199D+01  0.457947D+01  0.874860D+01  0.106701D+02
               151           152           153           154           155 
      1  -0.764468D+01 -0.124287D+02 -0.262201D+02  0.374324D+00 -0.451756D+00
      2  -0.269165D+01  0.118896D+01 -0.712031D+01 -0.853659D+01  0.990181D+00
      3   0.103363D+02  0.112397D+02  0.333404D+02  0.816226D+01 -0.538425D+00
      4   0.386371D+01  0.375174D+01  0.397540D+01 -0.341276D+01  0.296527D+01
      5   0.111812D+02  0.706006D+01  0.175351D+02 -0.156253D+02  0.206883D+01
      6   0.715982D+01  0.130895D+02  0.192091D+02  0.834237D+00 -0.276363D+01
               156           157           158           159           160 
      1   0.449928D+01  0.373633D+01 -0.242624D+01 -0.630135D+01  0.375980D+01
      2   0.860994D+01  0.125383D-01 -0.444239D+00 -0.241907D+01  0.936635D+01
      3  -0.131092D+02 -0.374887D+01  0.287048D+01  0.872042D+01 -0.131262D+02
      4   0.307612D+01  0.135121D+01 -0.119584D+01 -0.297191D+01  0.525767D+01
      5   0.164239D+02  0.221626D+01 -0.303041D+01 -0.378321D+01  0.170886D+02
      6  -0.804330D-01 -0.197287D+01  0.243784D+01  0.380705D+01 -0.312750D+01
               161           162           163           164           165 
      1  -0.316237D+01 -0.206747D+02  0.134826D+02 -0.449687D+00 -0.822614D+01
      2  -0.111553D+01 -0.156186D+02 -0.108112D+02  0.477642D+00  0.648283D+01
      3   0.427790D+01  0.362933D+02 -0.267145D+01 -0.279548D-01  0.174331D+01
      4  -0.446228D+01 -0.608562D+01  0.344885D+01  0.682802D+01 -0.607798D+01
      5  -0.397032D+01 -0.251528D+02 -0.163485D+02 -0.530732D+01  0.175499D+02
      6   0.595036D+01  0.609938D+01 -0.389551D+01 -0.245677D+01  0.399080D+01
               166           167           168           169           170 
      1  -0.850461D+01 -0.126862D+01  0.959808D+00 -0.147157D+02  0.110482D+01
      2   0.484337D+01  0.183648D+01 -0.656830D+00  0.121100D+02  0.567495D+00
      3   0.366124D+01 -0.567859D+00 -0.302978D+00  0.260568D+01 -0.167231D+01
      4   0.577367D+01  0.650841D+01 -0.543418D+01 -0.823383D+01 -0.889228D+01
      5  -0.195434D+01 -0.587006D+01  0.987538D+00  0.215232D+02  0.108179D+02
      6  -0.222452D+01 -0.226364D+01  0.540785D+01  0.659137D+01  0.782738D+01
               171           172           173           174           175 
      1  -0.441611D+01  0.700157D+01  0.712278D+01  0.372348D+01  0.794012D+01
      2  -0.113750D+02  0.139206D+01 -0.165100D+01 -0.121883D+01  0.508133D+01
      3   0.157912D+02 -0.839362D+01 -0.547179D+01 -0.250465D+01 -0.130215D+02
      4   0.108007D+02  0.101691D+02  0.129649D+02  0.710416D+00  0.238617D+02
      5  -0.427298D+02  0.464183D+01  0.820023D-01  0.413754D+01  0.148555D+01
      6  -0.146668D+02  0.169863D+01  0.198536D-01  0.730267D+00  0.117977D+01
               176           177           178           179           180 
      1  -0.173525D+02 -0.177422D+01  0.162515D+02 -0.371328D+01 -0.206772D-01
      2   0.388047D+02  0.430129D+01 -0.403791D+01  0.829239D+01  0.182228D+01
      3  -0.214522D+02 -0.252707D+01 -0.122136D+02 -0.457910D+01 -0.180161D+01
      4   0.537076D+02  0.638505D+01  0.674991D+01  0.156373D+02  0.838055D+01
      5   0.580673D+01  0.543899D+01  0.895220D+01  0.814003D+01  0.242243D+01
      6   0.296325D+01  0.555175D+01  0.318230D+01  0.739438D+01  0.275306D+01
               181           182           183           184           185 
      1  -0.116977D+02  0.470556D+01  0.142049D+02  0.952972D+01 -0.783848D+01
      2   0.116393D+01 -0.211079D+01 -0.291608D+01 -0.459180D+01  0.321933D+01
      3   0.105337D+02 -0.259477D+01 -0.112888D+02 -0.493792D+01  0.461915D+01
      4   0.552555D+01 -0.196054D+01  0.166119D+01  0.394712D+00 -0.477160D+01
      5   0.778637D+01  0.151819D+01 -0.489951D+01  0.129626D+01  0.388398D+01
      6  -0.570233D+00 -0.494350D+00  0.317246D+00 -0.141268D+01 -0.764385D-01
               186           187           188           189           190 
      1   0.241713D+01  0.228000D+02  0.334313D+01 -0.298614D+02  0.124143D+02
      2  -0.111717D+01 -0.799560D+01 -0.188339D+01 -0.715300D+01 -0.662935D+01
      3  -0.129996D+01 -0.148044D+02 -0.145974D+01  0.370144D+02 -0.578491D+01
      4   0.424779D+01  0.251980D+01  0.647006D+01 -0.956781D-02 -0.116525D+02
      5  -0.884420D+00 -0.305642D+01  0.339082D+00  0.471714D+02 -0.161510D+02
      6   0.696582D+01  0.218234D+00  0.378246D+01 -0.131130D+01  0.424236D+01
               191           192           193           194           195 
      1  -0.621432D+01 -0.123561D+02 -0.179583D+01  0.205655D+01 -0.257010D+01
      2   0.135014D+01  0.877643D+01 -0.633037D+00 -0.536993D+00  0.272332D+01
      3   0.486419D+01  0.357969D+01  0.242887D+01 -0.151956D+01 -0.153227D+00
      4   0.110509D+02  0.617807D+01  0.796228D+01 -0.470062D+01 -0.628686D+01
      5   0.350300D+01  0.200816D+02 -0.168016D+00 -0.635862D+01 -0.265636D+01
      6  -0.173377D+01 -0.674418D+01 -0.170666D+01  0.221761D+01  0.634888D+01
               196           197           198           199           200 
      1  -0.184559D+02 -0.132460D+01  0.810419D+01  0.322521D+02 -0.204326D+02
      2   0.123303D+02  0.303746D+01 -0.145080D+02 -0.777317D+01  0.814285D+00
      3   0.612559D+01 -0.171286D+01  0.640382D+01 -0.244789D+02  0.196183D+02
      4   0.107832D+02 -0.148494D+02 -0.182623D+02 -0.392468D+02  0.356298D+02
      5   0.250045D+02 -0.139676D+02 -0.552272D+02  0.159935D+02 -0.104338D+02
      6  -0.892427D+01  0.906302D+01  0.211238D+02 -0.796774D+01  0.655083D+01
               201           202           203           204           205 
      1   0.111317D+02 -0.188602D+02  0.967774D+01 -0.349233D+01  0.182628D+02
      2  -0.308631D+01 -0.676013D+00  0.124635D+02 -0.371465D+01 -0.549485D+01
      3  -0.804540D+01  0.195362D+02 -0.221412D+02  0.720699D+01 -0.127680D+02
      4  -0.133036D+02  0.366839D+02 -0.467944D+02  0.186670D+02 -0.231342D+02
      5   0.155048D+02 -0.114098D+02  0.166372D+02 -0.121904D+02  0.210487D+02
      6  -0.770026D+01  0.772710D+01 -0.117494D+02  0.903953D+01 -0.103620D+02
               206           207           208           209           210 
      1  -0.583596D+01  0.965885D+01 -0.571003D+02 -0.236500D+02 -0.116029D+01
      2  -0.460611D+01 -0.399102D+01  0.336779D+02  0.204859D+02  0.112721D+01
      3   0.104421D+02 -0.566783D+01  0.234223D+02  0.316406D+01  0.330798D-01
      4   0.297838D+02 -0.203561D+02  0.548307D+01 -0.927611D+01 -0.174414D+01
      5  -0.171610D+02  0.170048D+02 -0.160280D+01 -0.244768D+01 -0.132001D+01
      6   0.118390D+02 -0.103916D+02 -0.162854D+01 -0.431256D+00  0.255438D+01
               211           212           213           214           215 
      1  -0.180174D+02 -0.200491D+02 -0.982640D+00 -0.176673D+01 -0.901623D-02
      2   0.153747D+02  0.187384D+02 -0.622357D-01  0.181429D+01 -0.625131D+00
      3   0.264272D+01  0.131070D+01  0.104488D+01 -0.475590D-01  0.634147D+00
      4  -0.168040D+01 -0.606770D+01  0.180776D+01 -0.766274D+00  0.350650D+01
      5  -0.129620D+01  0.121765D+01 -0.220730D+01  0.196544D+01 -0.429779D+01
      6   0.799055D+00 -0.660766D+00  0.333041D+01  0.164475D+01  0.436582D+01
               216           217           218           219           220 
      1  -0.423745D+01  0.421749D+02  0.138961D+01 -0.240360D+02 -0.445920D+01
      2   0.203269D+01 -0.225698D+02  0.121844D+00  0.116882D+02  0.376730D+01
      3   0.220477D+01 -0.196051D+02 -0.151146D+01  0.123478D+02  0.691894D+00
      4  -0.411117D+01  0.329457D+01  0.843356D+01 -0.591896D+01  0.132800D+02
      5  -0.402771D+01 -0.237537D+02 -0.520353D+01  0.261388D+02 -0.438563D+01
      6   0.118820D+01 -0.323734D+01 -0.517208D+00  0.278989D+01 -0.118189D+01
               221           222           223           224           225 
      1   0.841659D+01 -0.408850D+01 -0.522148D+02 -0.920149D+01  0.343188D+02
      2  -0.290380D+01  0.175156D+01  0.270928D+02  0.393086D+01 -0.213041D+02
      3  -0.551279D+01  0.233694D+01  0.251220D+02  0.527063D+01 -0.130147D+02
      4   0.921491D+01 -0.612343D+01 -0.121791D+02 -0.133000D+02  0.752155D+01
      5  -0.559942D+01  0.203741D+01  0.420192D+02  0.706544D+01 -0.622233D+02
      6   0.161619D+00  0.408457D+01  0.393343D+01  0.423708D+01 -0.758847D+01
               226           227           228           229           230 
      1   0.366084D+01  0.108713D+02  0.567006D+01  0.229124D+02  0.497152D+01
      2  -0.254135D-01 -0.429930D+01 -0.273438D+01 -0.755061D+01  0.139033D+02
      3  -0.363542D+01 -0.657196D+01 -0.293568D+01 -0.153618D+02 -0.188748D+02
      4   0.103281D+02  0.107813D+02  0.235218D+01  0.327721D+02  0.827203D+02
      5   0.576418D+01  0.266795D+01  0.683617D+01  0.100713D+02  0.279712D+02
      6   0.282588D+01  0.100556D+01  0.431746D+00  0.586320D+01  0.176633D+02
               231           232           233           234           235 
      1  -0.102837D+01  0.114615D+02 -0.173468D+01  0.664762D+01  0.826418D+02
      2   0.234914D+01 -0.621783D+01  0.262174D+01 -0.457335D+01 -0.472368D+02
      3  -0.132077D+01 -0.524366D+01 -0.887060D+00 -0.207426D+01 -0.354051D+02
      4   0.266713D+02  0.849637D+01  0.269913D+02  0.180625D+02 -0.234316D+02
      5   0.200767D+02  0.172951D+02  0.188031D+02  0.149402D+02  0.388199D+02
      6   0.111427D+02  0.366678D+01  0.111956D+02  0.747952D+01 -0.335063D+01
               236           237           238           239           240 
      1  -0.235321D+02  0.299049D+02 -0.536766D+02  0.195331D+02 -0.173793D+02
      2   0.136475D+02 -0.196633D+02  0.301097D+02 -0.990240D+01  0.127146D+02
      3   0.988464D+01 -0.102416D+02  0.235669D+02 -0.963070D+01  0.466477D+01
      4   0.174902D+02 -0.105640D+02  0.272079D+02 -0.210375D+02  0.177184D+02
      5  -0.124721D+02  0.299827D+02 -0.250773D+02  0.187643D+02 -0.203164D+02
      6   0.207920D+01 -0.585599D+00  0.484217D+01 -0.372957D+01  0.451600D+01
               241           242           243           244           245 
      1   0.462894D+02 -0.110358D+02  0.308285D+02  0.316655D+01  0.632171D+00
      2  -0.303554D+02  0.885059D+01 -0.239320D+02 -0.371772D+01  0.495113D-01
      3  -0.159339D+02  0.218518D+01 -0.689646D+01  0.551171D+00 -0.681682D+00
      4  -0.129876D+02  0.184206D+02 -0.114976D+02  0.497878D+01  0.723962D+01
      5   0.450284D+02 -0.127178D+02  0.337168D+02  0.137065D+02  0.428719D+01
      6  -0.186047D+01  0.487406D+01 -0.313375D+01  0.601235D+01  0.163420D+01
               246           247           248           249           250 
      1   0.810102D+01 -0.460453D+00 -0.751837D+00 -0.112235D+01  0.105866D+02
      2  -0.491617D+01  0.147737D+01  0.289537D+01  0.148521D+01 -0.753504D+01
      3  -0.318485D+01 -0.101692D+01 -0.214354D+01 -0.362860D+00 -0.305154D+01
      4   0.481111D+01  0.111018D+02  0.113920D+02  0.844816D+01  0.631118D+01
      5   0.115145D+02  0.531878D+01  0.880348D+01  0.122153D+02  0.162938D+02
      6   0.337081D+01  0.307501D+01  0.612011D+01  0.924326D+01  0.522848D+01
               251           252           253           254           255 
      1  -0.297906D+01 -0.362895D+01 -0.441179D+02 -0.470696D+02  0.759068D+01
      2   0.130473D+01 -0.695708D+01  0.311123D+01  0.335385D+02  0.206358D+01
      3   0.167433D+01  0.105860D+02  0.410067D+02  0.135311D+02 -0.965426D+01
      4   0.115659D+02  0.125591D+02 -0.583256D+02 -0.101628D+02  0.587028D+01
      5   0.120279D+02  0.358997D+02  0.124498D+02  0.979349D+01  0.633882D+01
      6   0.854711D+01  0.158054D+02  0.590924D+01  0.119092D+00  0.359246D+01
               256           257           258           259           260 
      1  -0.376455D+02  0.139865D+02  0.127746D+02 -0.232097D+01  0.147569D+02
      2   0.297474D+02 -0.181291D+02 -0.545018D+01  0.260995D+01 -0.129913D+02
      3   0.789813D+01  0.414262D+01 -0.732444D+01 -0.288987D+00 -0.176559D+01
      4   0.317443D+01  0.538390D+01 -0.946534D+01 -0.449584D+01 -0.166354D+02
      5   0.280051D+01 -0.147510D+02  0.151672D+02  0.139110D+02  0.156724D+02
      6  -0.572462D+01 -0.914211D+01  0.129814D+02  0.100158D+02  0.157042D+02
               261           262           263           264           265 
      1   0.902263D+01  0.294212D+02 -0.209870D+02  0.459014D+01 -0.240683D+02
      2   0.144078D+02 -0.767711D+01  0.373548D+01 -0.164494D+01  0.154828D+01
      3  -0.234304D+02 -0.217441D+02  0.172516D+02 -0.294520D+01  0.225200D+02
      4   0.210180D+02 -0.316000D+02  0.300008D+02 -0.583586D+01  0.405708D+02
      5   0.146643D+02  0.100411D+02 -0.714843D+01  0.732534D+01 -0.964102D+01
      6   0.430781D+01 -0.400485D+01  0.387311D+01 -0.210342D+01  0.498906D+01
               266           267           268           269           270 
      1   0.184728D+02 -0.338399D+01 -0.648948D+01  0.583559D+01  0.143260D+01
      2   0.734628D+01  0.530621D+00 -0.301829D+00  0.119039D+01 -0.121101D+00
      3  -0.258191D+02  0.285337D+01  0.679131D+01 -0.702598D+01 -0.131150D+01
      4  -0.526064D+02  0.932021D+01  0.873070D+01 -0.968820D+01 -0.426856D+01
      5   0.112704D+02 -0.102368D+02  0.408506D+01 -0.378541D+01  0.231035D+01
      6  -0.753971D+01  0.458463D+01 -0.179045D+01  0.277366D+01 -0.965177D+00
               271           272           273           274           275 
      1  -0.128039D+02  0.270637D+02 -0.155010D+01  0.182179D+02 -0.377313D+02
      2   0.156374D+02 -0.294346D+02 -0.343369D+00 -0.167882D+02  0.525001D+02
      3  -0.283343D+01  0.237089D+01  0.189347D+01 -0.142973D+01 -0.147688D+02
      4   0.250500D+01 -0.453695D+01  0.115305D+01  0.383781D+01  0.222064D+02
      5   0.300593D+01 -0.288409D+01 -0.329892D+01 -0.384057D+01  0.442839D+01
      6  -0.119546D+01  0.399001D+01 -0.493715D+01  0.129548D+01 -0.614911D+01
               276           277           278           279           280 
      1   0.483775D-01  0.370715D+01 -0.569652D+01 -0.702666D+01  0.140959D+01
      2   0.734452D+00 -0.291635D+01  0.912258D+01  0.473780D+01 -0.264673D+01
      3  -0.782829D+00 -0.790792D+00 -0.342606D+01  0.228886D+01  0.123714D+01
      4  -0.169269D+00  0.186800D+01  0.676342D+01 -0.482234D+00  0.284714D+01
      5   0.275510D+01 -0.187251D+01  0.226661D+01  0.622828D+00 -0.451167D+01
      6   0.571702D+01 -0.315095D+01  0.511765D+01  0.798719D+00 -0.223985D+01
               281           282           283           284           285 
      1   0.454177D+01 -0.824245D+01 -0.493306D+00 -0.320270D+01 -0.271176D+01
      2  -0.448550D+01  0.929788D+00 -0.165111D+01 -0.801151D+00 -0.354192D+01
      3  -0.562748D-01  0.731266D+01  0.214442D+01  0.400385D+01  0.625368D+01
      4   0.558698D+00 -0.282692D+01 -0.159581D+01 -0.676572D+01 -0.211273D+01
      5  -0.628978D+00 -0.530167D+00  0.949911D+00 -0.101325D+01 -0.707537D+01
      6   0.120250D+01 -0.283122D+01  0.959058D+00  0.151864D+01 -0.590595D+00
               286           287           288           289           290 
      1  -0.862725D+01  0.125591D+01 -0.184880D+02  0.794223D+02  0.256005D+02
      2   0.308795D+01 -0.512489D+01 -0.151354D+02 -0.250600D+02 -0.122254D+01
      3   0.553929D+01  0.386899D+01  0.336233D+02 -0.543623D+02 -0.243779D+02
      4  -0.606034D+01 -0.780650D+01 -0.353478D+01  0.687727D+02  0.400167D+02
      5   0.558978D+01  0.699266D-01 -0.332145D+02 -0.214575D+02 -0.101871D+02
      6   0.433127D+00  0.449210D+01 -0.198831D+02 -0.839840D+01 -0.679397D+01
               291           292           293           294           295 
      1  -0.539512D+01  0.179226D+02  0.987818D+01 -0.206936D+01  0.853101D+00
      2   0.227393D+01  0.763163D+00  0.660166D+01  0.234791D+00  0.129388D+01
      3   0.312119D+01 -0.186858D+02 -0.164798D+02  0.183457D+01 -0.214698D+01
      4  -0.901078D+01  0.327742D+02  0.261174D+02 -0.362076D+01 -0.577743D+00
      5   0.133210D+02 -0.682479D+01 -0.371759D+01  0.340829D+01  0.123514D+02
      6   0.741822D+01 -0.461894D+01 -0.413317D+01  0.289213D+01  0.629150D+01
               296           297 
      1  -0.126827D+01  0.608898D+01
      2   0.209486D+01 -0.448321D+01
      3  -0.826590D+00 -0.160578D+01
      4   0.118139D+01  0.617145D+01
      5   0.457040D+01 -0.503139D+01
      6   0.322170D+01 -0.248343D+01
 Leave Link  716 at Mon Sep 13 17:50:52 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.220720D+03  0.915228D+01 -0.424760D+01
      2   0.915228D+01  0.139373D+03  0.710839D+01
      3  -0.424760D+01  0.710839D+01  0.152418D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.599265D+01 -0.164309D+01 -0.699494D+01
      2  -0.405135D+02 -0.146415D+02 -0.404960D+02
      3   0.266265D+02  0.592815D+02  0.783346D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.272777D+03 -0.698347D+02 -0.500652D+02
      2   0.145584D+03  0.672085D+02  0.183958D+01
      3   0.127193D+03  0.262617D+01  0.482256D+02
      4  -0.699484D+00 -0.110268D+03 -0.255621D+02
      5  -0.460304D+02 -0.233077D+02 -0.847513D+02
      6  -0.495615D+01 -0.232412D+02  0.202988D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.867093D+01  0.220327D+01 -0.540973D+00 -0.298891D+00 -0.113563D+00
      2   0.220327D+01 -0.206939D+00  0.419350D+00 -0.113563D+00 -0.372808D+01
      3  -0.540973D+00  0.419350D+00 -0.166347D+01  0.151534D+01 -0.145160D+01
                 6             7             8             9            10 
      1   0.151534D+01 -0.110435D+02 -0.853232D+00  0.205708D+00 -0.283119D+02
      2  -0.145160D+01 -0.853232D+00 -0.162591D+00  0.124919D+01 -0.300306D+01
      3   0.885234D+00  0.205708D+00  0.124919D+01 -0.162293D+01 -0.381487D+00
                11            12            13            14            15 
      1  -0.300306D+01 -0.381487D+00 -0.607794D+01 -0.475322D+01  0.127310D+01
      2  -0.201931D+01 -0.578335D+00 -0.475322D+01 -0.285021D+01  0.351484D+00
      3  -0.578335D+00 -0.275057D+01  0.127310D+01  0.351484D+00 -0.655521D+00
                16            17            18            19            20 
      1  -0.776753D+00  0.149343D+01 -0.107130D+01 -0.693554D+01 -0.238523D+01
      2   0.149343D+01  0.612977D+00 -0.425880D-01 -0.238523D+01  0.211308D+01
      3  -0.107130D+01 -0.425880D-01  0.163379D+01  0.263385D+00  0.130170D+01
                21            22            23            24            25 
      1   0.263385D+00 -0.713448D+01  0.183152D+00  0.453397D+00 -0.999826D+01
      2   0.130170D+01  0.183152D+00 -0.131041D+01 -0.165367D+01 -0.249443D+01
      3   0.118228D+01  0.453397D+00 -0.165367D+01  0.190033D+01  0.179875D+00
                26            27            28            29            30 
      1  -0.249443D+01  0.179875D+00  0.245453D+02  0.392551D+01 -0.114434D+01
      2  -0.129506D+01  0.126000D+01  0.392551D+01  0.253769D+01  0.595169D-01
      3   0.126000D+01 -0.230647D+01 -0.114434D+01  0.595169D-01  0.251153D+01
                31            32            33            34            35 
      1   0.327974D+01  0.516276D+01 -0.129707D+01 -0.716305D+00 -0.962835D+00
      2   0.516276D+01  0.205402D+01 -0.676887D+00 -0.962835D+00 -0.161406D+01
      3  -0.129707D+01 -0.676887D+00  0.166935D+01  0.995879D+00  0.216558D+00
                36            37            38            39            40 
      1   0.995879D+00 -0.105272D+02 -0.262944D+01  0.111570D+01 -0.233250D+00
      2   0.216558D+00 -0.262944D+01  0.353278D-01 -0.556388D+00  0.734117D+00
      3   0.954724D+00  0.111570D+01 -0.556388D+00  0.344902D+01 -0.167749D+01
                41            42            43            44            45 
      1   0.734117D+00 -0.167749D+01  0.120582D+02  0.713939D+00 -0.125682D+01
      2   0.382224D+01  0.189260D+01  0.713939D+00  0.837908D+00 -0.140364D+01
      3   0.189260D+01 -0.939699D+00 -0.125682D+01 -0.140364D+01  0.120474D+01
                46            47            48            49            50 
      1   0.867187D+01  0.239581D+01 -0.651600D+00  0.949611D+01 -0.648102D+00
      2   0.239581D+01 -0.185869D+01 -0.123300D+01 -0.648102D+00  0.103650D+01
      3  -0.651600D+00 -0.123300D+01 -0.229854D+01 -0.290058D+00  0.204165D+01
                51            52            53            54            55 
      1  -0.290058D+00  0.961333D+01  0.220761D+01  0.104352D+01  0.156885D+02
      2   0.204165D+01  0.220761D+01  0.139085D+01 -0.130667D+01 -0.671005D+00
      3  -0.326332D+01  0.104352D+01 -0.130667D+01  0.142151D+01  0.121642D+01
                56            57            58            59            60 
      1  -0.671005D+00  0.121642D+01 -0.465285D+01  0.438730D+01 -0.131744D+01
      2   0.148194D+01 -0.658162D+00  0.438730D+01  0.591936D+01  0.180432D+01
      3  -0.658162D+00  0.210872D+01 -0.131744D+01  0.180432D+01 -0.290987D-01
                61            62            63            64            65 
      1   0.738918D+01 -0.967239D+00  0.416681D+01 -0.271011D+01  0.450644D+01
      2  -0.967239D+00  0.293385D+01  0.985173D+00  0.450644D+01 -0.762381D+00
      3   0.416681D+01  0.985173D+00 -0.450315D+01  0.146009D+00  0.135256D+01
                66            67            68            69            70 
      1   0.146009D+00  0.121816D+02 -0.172822D+01  0.234910D+01 -0.581096D+01
      2   0.135256D+01 -0.172822D+01 -0.455691D+01 -0.201421D+01  0.134451D+01
      3  -0.330835D+01  0.234910D+01 -0.201421D+01  0.402088D+00 -0.516757D+01
                71            72            73            74            75 
      1   0.134451D+01 -0.516757D+01 -0.344779D+01 -0.487895D+01  0.738645D+00
      2  -0.291575D+01  0.126842D+00 -0.487895D+01  0.107381D+01 -0.136734D+01
      3   0.126842D+00  0.612249D+01  0.738645D+00 -0.136734D+01  0.298850D+01
                76            77            78            79            80 
      1  -0.579037D+01  0.122210D+01 -0.174944D+01  0.161484D+01 -0.172001D+01
      2   0.122210D+01  0.196465D+01  0.261002D+01 -0.172001D+01  0.365009D+01
      3  -0.174944D+01  0.261002D+01 -0.102509D+01  0.408141D+01 -0.175025D+01
                81            82            83            84            85 
      1   0.408141D+01 -0.255833D+01 -0.413449D+01  0.238590D-01 -0.640719D+01
      2  -0.175025D+01 -0.413449D+01  0.596949D+00 -0.174080D+01  0.224716D+01
      3  -0.440853D+01  0.238590D-01 -0.174080D+01  0.354083D+01 -0.219332D+01
                86            87            88            89            90 
      1   0.224716D+01 -0.219332D+01  0.133671D+01 -0.179996D+01  0.530951D+01
      2   0.500334D+01  0.350906D+01 -0.179996D+01  0.343938D+01  0.301724D+00
      3   0.350906D+01 -0.245949D+00  0.530951D+01  0.301724D+00 -0.318580D+01
                91            92            93            94            95 
      1  -0.298942D+01  0.458418D+00 -0.723693D+00  0.353372D+01 -0.570215D+01
      2   0.458418D+00 -0.250549D+01  0.404478D+00 -0.570215D+01 -0.613942D+00
      3  -0.723693D+00  0.404478D+00 -0.135864D+01  0.105702D+01  0.126659D+01
                96            97            98            99           100 
      1   0.105702D+01  0.237426D+01  0.153438D+01 -0.235533D+01 -0.132746D+01
      2   0.126659D+01  0.153438D+01  0.305892D+01 -0.337842D+01 -0.348756D+00
      3  -0.275940D+01 -0.235533D+01 -0.337842D+01 -0.307063D+01  0.189682D+01
               101           102           103           104           105 
      1  -0.348756D+00  0.189682D+01 -0.846960D+00  0.187377D+01 -0.581619D+00
      2   0.159655D+01 -0.186158D-01  0.187377D+01 -0.238354D+01 -0.143599D+00
      3  -0.186158D-01 -0.739094D+00 -0.581619D+00 -0.143599D+00  0.152004D+01
               106           107           108           109           110 
      1   0.326408D+01 -0.129662D+01 -0.195489D+01  0.443376D+01 -0.113623D+01
      2  -0.129662D+01  0.310147D+00  0.222763D+01 -0.113623D+01  0.414159D+00
      3  -0.195489D+01  0.222763D+01  0.335681D+01 -0.368885D+01  0.290062D+00
               111           112           113           114           115 
      1  -0.368885D+01 -0.244306D+01  0.153275D+01  0.876879D+00 -0.803128D+01
      2   0.290062D+00  0.153275D+01 -0.140978D+01 -0.216959D+01  0.156911D+01
      3   0.219470D+01  0.876879D+00 -0.216959D+01 -0.174950D+01  0.386334D+01
               116           117           118           119           120 
      1   0.156911D+01  0.386334D+01 -0.786302D+00  0.150045D+01  0.143159D+01
      2  -0.283094D+01 -0.144500D+01  0.150045D+01 -0.278034D+01  0.188761D+00
      3  -0.144500D+01 -0.851313D+01  0.143159D+01  0.188761D+00  0.362933D-01
               121           122           123           124           125 
      1   0.216738D+01 -0.267551D+01  0.226267D+00  0.434484D+01 -0.128496D+01
      2  -0.267551D+01  0.296866D+01  0.110950D+01 -0.128496D+01  0.219524D+01
      3   0.226267D+00  0.110950D+01 -0.680869D-01  0.176336D+01 -0.193440D+01
               126           127           128           129           130 
      1   0.176336D+01 -0.206960D+01 -0.117422D+01 -0.170316D+01 -0.161531D+01
      2  -0.193440D+01 -0.117422D+01 -0.102704D+01 -0.108372D+01 -0.916346D+00
      3   0.441611D+01 -0.170316D+01 -0.108372D+01 -0.148188D+01 -0.153100D+01
               131           132           133           134           135 
      1  -0.916346D+00 -0.153100D+01 -0.195700D+01 -0.121872D+01 -0.213216D+01
      2  -0.152709D+01 -0.169783D+01 -0.121872D+01 -0.232672D+01 -0.281253D+01
      3  -0.169783D+01 -0.270754D+01 -0.213216D+01 -0.281253D+01 -0.545806D+01
               136           137           138           139           140 
      1   0.383674D+01 -0.325168D+00 -0.215548D+01 -0.615532D+00  0.188359D+00
      2  -0.325168D+00  0.469019D+00  0.221934D+00  0.188359D+00 -0.533556D+00
      3  -0.215548D+01  0.221934D+00  0.207601D+01  0.630490D+00 -0.504016D+00
               141           142           143           144           145 
      1   0.630490D+00 -0.269345D+01  0.704358D+00  0.285692D+01  0.215677D+01
      2  -0.504016D+00  0.704358D+00 -0.102977D+01 -0.117623D+01  0.129575D+01
      3  -0.160924D+01  0.285692D+01 -0.117623D+01 -0.513232D+01  0.185133D+01
               146           147           148           149           150 
      1   0.129575D+01  0.185133D+01  0.127235D+01  0.798466D+00  0.151004D+01
      2   0.100960D+01  0.113724D+01  0.798466D+00  0.114923D+01  0.154745D+01
      3   0.113724D+01  0.190360D+01  0.151004D+01  0.154745D+01  0.296361D+01
               151           152           153           154           155 
      1   0.184786D+01  0.120101D+01  0.233803D+01 -0.317337D+01  0.284435D+00
      2   0.120101D+01  0.214476D+01  0.277987D+01  0.284435D+00 -0.323330D+00
      3   0.233803D+01  0.277987D+01  0.638525D+01  0.259892D+01 -0.210259D+00
               156           157           158           159           160 
      1   0.259892D+01  0.123215D+00 -0.216125D+00 -0.494516D+00  0.310831D+01
      2  -0.210259D+00 -0.216125D+00  0.313839D+00  0.496435D+00 -0.764654D+00
      3  -0.300501D+01 -0.494516D+00  0.496435D+00  0.170911D+01 -0.334171D+01
               161           162           163           164           165 
      1  -0.764654D+00 -0.334171D+01 -0.215093D+01 -0.954671D-01  0.174726D+01
      2   0.960720D+00  0.114308D+01 -0.954671D-01 -0.658149D+00  0.610485D+00
      3   0.114308D+01  0.666235D+01  0.174726D+01  0.610485D+00 -0.169968D+01
               166           167           168           169           170 
      1   0.164447D+01 -0.729458D+00  0.276983D+00  0.369061D+01  0.780601D+00
      2  -0.729458D+00 -0.993365D+00  0.787357D+00  0.780601D+00  0.119940D+01
      3   0.276983D+00  0.787357D+00 -0.177506D+00 -0.225110D+01 -0.150564D+01
               171           172           173           174           175 
      1  -0.225110D+01 -0.172619D+01 -0.139493D+01 -0.651497D+00 -0.322097D+01
      2  -0.150564D+01 -0.139493D+01 -0.934462D+00  0.111766D-01 -0.272616D+01
      3   0.584534D+01 -0.651497D+00  0.111766D-01 -0.279411D+00 -0.306099D+00
               176           177           178           179           180 
      1  -0.272616D+01 -0.306099D+00 -0.423772D+01 -0.846408D+00 -0.116051D+01
      2  -0.866171D+01 -0.103222D+01 -0.846408D+00 -0.237540D+01 -0.133438D+01
      3  -0.103222D+01 -0.827608D+00 -0.116051D+01 -0.133438D+01 -0.436552D+00
               181           182           183           184           185 
      1   0.178102D+01 -0.718003D+00 -0.143366D+01 -0.141789D+01  0.279239D+00
      2  -0.718003D+00  0.447563D+00 -0.255315D+00  0.279239D+00  0.559748D+00
      3  -0.143366D+01 -0.255315D+00  0.138238D+01 -0.196503D+00 -0.736660D+00
               186           187           188           189           190 
      1  -0.196503D+00 -0.229656D+01 -0.218007D+00  0.114535D+01 -0.140474D+01
      2  -0.736660D+00 -0.218007D+00 -0.975375D+00  0.218882D-01  0.100713D+01
      3   0.145641D+00  0.114535D+01  0.218882D-01 -0.697980D+01  0.146400D+01
               191           192           193           194           195 
      1   0.100713D+01  0.146400D+01  0.519719D+00 -0.588610D+00  0.294237D-02
      2  -0.914728D+00 -0.300682D+00 -0.588610D+00  0.460838D+00  0.705913D+00
      3  -0.300682D+00 -0.191319D+01  0.294237D-02  0.705913D+00  0.332505D+00
               196           197           198           199           200 
      1   0.240199D+01 -0.608809D+00 -0.231811D+01 -0.415648D+01  0.330331D+01
      2  -0.608809D+00  0.166493D+01  0.155140D+01  0.330331D+01 -0.298400D+01
      3  -0.231811D+01  0.155140D+01  0.624250D+01 -0.155706D+01  0.106192D+01
               201           202           203           204           205 
      1  -0.155706D+01  0.298989D+01 -0.311432D+01  0.123490D+01 -0.277877D+01
      2   0.106192D+01 -0.311432D+01  0.462198D+01 -0.191607D+01  0.195267D+01
      3  -0.146399D+01  0.123490D+01 -0.191607D+01  0.133176D+01 -0.209610D+01
               206           207           208           209           210 
      1   0.195267D+01 -0.209610D+01  0.817408D+01  0.173536D+01  0.216080D+00
      2  -0.307518D+01  0.193215D+01  0.173536D+01  0.262178D+01  0.147024D+00
      3   0.193215D+01 -0.180095D+01  0.216080D+00  0.147024D+00  0.455505D+00
               211           212           213           214           215 
      1   0.123652D+01  0.178863D+01  0.112700D+00  0.347317D+00  0.525371D-01
      2   0.178863D+01  0.203851D+01 -0.154972D+00  0.525371D-01 -0.402135D+00
      3   0.112700D+00 -0.154972D+00  0.556363D+00  0.190094D+00  0.706302D+00
               216           217           218           219           220 
      1   0.190094D+00 -0.324781D+01 -0.106657D+00  0.188521D+01  0.391404D+00
      2   0.706302D+00 -0.106657D+00 -0.613397D+00  0.405670D+00 -0.105008D+01
      3   0.391119D+00  0.188521D+01  0.405670D+00 -0.196059D+01  0.333972D+00
               221           222           223           224           225 
      1  -0.105008D+01  0.333972D+00  0.449530D+01  0.928744D+00 -0.334120D+01
      2  -0.839996D+00  0.497773D+00  0.928744D+00  0.109557D+01 -0.642947D+00
      3   0.497773D+00 -0.177930D+00 -0.334120D+01 -0.642947D+00  0.536720D+01
               226           227           228           229           230 
      1  -0.278059D+00 -0.929426D+00 -0.463855D+00 -0.244695D+01 -0.256861D+01
      2  -0.929426D+00 -0.485172D+00 -0.716939D-01 -0.256861D+01 -0.791739D+01
      3  -0.463855D+00 -0.716939D-01 -0.432569D+00 -0.727495D+00 -0.253308D+01
               231           232           233           234           235 
      1  -0.727495D+00 -0.125778D+01 -0.652052D+00 -0.135157D+01 -0.665027D+01
      2  -0.253308D+01 -0.652052D+00 -0.258789D+01 -0.178377D+01  0.197965D+01
      3  -0.180419D+01 -0.135157D+01 -0.178377D+01 -0.141724D+01 -0.265384D+01
               236           237           238           239           240 
      1   0.197965D+01 -0.265384D+01  0.501824D+01 -0.215564D+01  0.181455D+01
      2  -0.126214D+01  0.904015D+00 -0.215564D+01  0.169610D+01 -0.152171D+01
      3   0.904015D+00 -0.206677D+01  0.181455D+01 -0.152171D+01  0.157488D+01
               241           242           243           244           245 
      1  -0.445460D+01  0.108426D+01 -0.337980D+01 -0.234105D-01  0.309126D+00
      2   0.108426D+01 -0.158670D+01  0.100276D+01  0.309126D+00  0.716868D+00
      3  -0.337980D+01  0.100276D+01 -0.261959D+01  0.176473D+01  0.389219D+00
               246           247           248           249           250 
      1   0.176473D+01  0.483918D+00  0.133295D+01  0.540340D+00  0.295440D+01
      2   0.389219D+00  0.133295D+01  0.174826D+01  0.122818D+01  0.706345D+00
      3   0.109342D+01  0.540340D+00  0.122818D+01  0.177435D+01  0.175887D+01
               251           252           253           254           255 
      1   0.706345D+00  0.175887D+01 -0.816849D+01 -0.555731D+01  0.785816D+00
      2   0.164918D+01  0.167433D+01 -0.555731D+01  0.179886D+01  0.419029D+00
      3   0.167433D+01  0.523763D+01  0.785816D+00  0.419029D+00  0.990534D+00
               256           257           258           259           260 
      1  -0.216389D+01  0.335485D+01 -0.574348D+00 -0.308956D+01 -0.106128D+01
      2   0.335485D+01 -0.572711D+00 -0.207269D+01 -0.106128D+01 -0.357513D+01
      3  -0.574348D+00 -0.207269D+01  0.290473D+01  0.226738D+01  0.283901D+01
               261           262           263           264           265 
      1   0.226738D+01  0.366737D+01 -0.287131D+01  0.853358D+00 -0.376195D+01
      2   0.283901D+01 -0.287131D+01  0.295810D+01 -0.588581D+00  0.407108D+01
      3   0.264585D+01  0.853358D+00 -0.588581D+00  0.826295D+00 -0.779338D+00
               266           267           268           269           270 
      1   0.407108D+01 -0.779338D+00 -0.883359D+00  0.872514D+00  0.413046D+00
      2  -0.583709D+01  0.104544D+01  0.872514D+00 -0.962444D+00 -0.439661D+00
      3   0.104544D+01 -0.124747D+01  0.413046D+00 -0.439661D+00  0.316853D+00
               271           272           273           274           275 
      1  -0.144599D+01  0.216319D+01  0.121420D+00  0.194754D+01 -0.157984D+01
      2   0.216319D+01 -0.343665D+01  0.242725D+00 -0.157984D+01  0.669059D+01
      3   0.121420D+00  0.242725D+00 -0.795465D+00 -0.564575D-01  0.170441D-03
               276           277           278           279           280 
      1  -0.564575D-01  0.811846D+00 -0.184672D-01 -0.529092D+00  0.366731D+00
      2   0.170441D-03 -0.184672D-01  0.147590D+01  0.544567D+00  0.197937D+00
      3   0.682812D+00 -0.529092D+00  0.544567D+00 -0.655390D-02 -0.882490D+00
               281           282           283           284           285 
      1   0.197937D+00 -0.882490D+00 -0.614856D+00 -0.536618D+00  0.421848D-01
      2  -0.459144D+00  0.335219D-01 -0.536618D+00 -0.860482D+00 -0.306305D+00
      3   0.335219D-01 -0.793064D+00  0.421848D-01 -0.306305D+00 -0.122233D+01
               286           287           288           289           290 
      1  -0.159687D+01 -0.345832D+00  0.119510D-01  0.120964D+02  0.509389D+01
      2  -0.345832D+00 -0.128029D+01 -0.795764D-02  0.509389D+01  0.336007D+01
      3   0.119510D-01 -0.795764D-02 -0.622032D+01 -0.148858D+01 -0.937495D+00
               291           292           293           294           295 
      1  -0.148858D+01  0.345654D+01  0.264589D+01 -0.478015D+00 -0.304052D-01
      2  -0.937495D+00  0.264589D+01  0.254840D+01 -0.308837D+00 -0.325071D-01
      3   0.127066D+01 -0.478015D+00 -0.308837D+00  0.156672D+00  0.111624D+01
               296           297 
      1  -0.325071D-01  0.111624D+01
      2   0.375603D+00  0.401592D+00
      3   0.401592D+00 -0.522244D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.202573D+01  0.821346D+00 -0.250111D+01  0.555902D+01  0.767712D+00
      2  -0.129351D+02  0.235653D+01  0.822173D+01  0.372060D+01 -0.555798D+00
      3  -0.316216D+01 -0.355142D+01 -0.393599D+01  0.122086D+02  0.552185D-01
                 6             7             8             9            10 
      1  -0.300581D+01 -0.449933D+01  0.263357D+01  0.538096D+00 -0.497924D+01
      2  -0.581619D+00  0.316784D+01 -0.130074D+01 -0.390014D+01  0.172524D+02
      3  -0.337284D+01 -0.123135D+01  0.710625D+00  0.448898D+01  0.216105D+01
                11            12            13            14            15 
      1   0.408463D+00  0.153214D+01  0.859992D+00 -0.499980D+01 -0.718016D+01
      2   0.152189D+01 -0.262799D+01 -0.290487D+00  0.197898D+01 -0.178958D+01
      3   0.104509D+01  0.762849D+00  0.126567D+02 -0.353593D+00 -0.113878D+01
                16            17            18            19            20 
      1   0.818873D+01 -0.612971D+00  0.406892D+01 -0.616895D+00 -0.111046D+01
      2  -0.210079D+02 -0.176756D+01  0.317377D+01  0.859835D+01  0.284133D+01
      3   0.521791D+01 -0.186783D+01 -0.358717D+01 -0.458442D+01 -0.106965D+01
                21            22            23            24            25 
      1   0.722138D+00 -0.703598D+01 -0.346146D+01 -0.207238D+01  0.118100D+01
      2   0.533114D+01  0.717136D+01  0.367091D+01  0.160886D+01  0.142070D+01
      3  -0.626976D+00  0.110625D+02  0.278845D+01  0.244286D+01 -0.496044D+01
                26            27            28            29            30 
      1   0.265492D+01 -0.175338D+01  0.250414D+01  0.253820D+01  0.374008D+01
      2   0.167520D+01  0.118663D+01 -0.142479D+02 -0.364275D+01 -0.582404D+00
      3  -0.132623D+00 -0.175146D+01 -0.373440D+01 -0.836486D+00  0.170618D+01
                31            32            33            34            35 
      1   0.603305D+01 -0.193927D+01 -0.764551D+01  0.617337D+01 -0.498198D+00
      2  -0.538611D+01 -0.516831D+01 -0.165089D+01 -0.213897D+02 -0.252081D+01
      3   0.880756D+01  0.455116D+01 -0.211133D+00  0.238447D+01  0.261767D+01
                36            37            38            39            40 
      1   0.380413D+01 -0.383022D+01  0.133520D+00 -0.113622D+01  0.419415D+01
      2   0.255355D+01  0.599171D+01  0.493870D+01  0.457727D+01  0.387546D+01
      3  -0.306696D+01 -0.159353D+01 -0.263605D+01 -0.360257D+01  0.100345D+02
                41            42            43            44            45 
      1   0.385558D+01 -0.102223D+01 -0.567383D+00  0.305913D+01 -0.199617D+00
      2   0.783901D+00 -0.215812D-01 -0.132537D+02 -0.273807D+01  0.162839D+00
      3  -0.858330D+00 -0.372070D+01  0.140798D+01 -0.149412D+01  0.331241D+01
                46            47            48            49            50 
      1   0.449493D+01 -0.224665D+01 -0.855027D+00 -0.623851D+01 -0.855239D+00
      2  -0.708808D+01 -0.214383D+01  0.436259D+01 -0.498743D+01  0.310948D+00
      3  -0.437213D+01 -0.109180D+01 -0.363879D+00  0.903171D+01  0.233498D+01
                51            52            53            54            55 
      1  -0.213244D+01  0.465181D+01  0.382911D+01 -0.601766D+00  0.438232D+01
      2   0.237036D+01 -0.101996D+02 -0.140377D+01 -0.630059D+00 -0.857743D+01
      3   0.335748D+01 -0.610928D+01  0.959747D+00 -0.149325D+01 -0.117367D+02
                56            57            58            59            60 
      1  -0.129871D+01  0.146648D+01 -0.342527D+01  0.681869D+01 -0.156178D+01
      2   0.152910D+01 -0.348046D+01  0.467402D+01 -0.104778D+02 -0.165743D+00
      3   0.266613D+01 -0.253292D+01  0.261651D+02  0.151521D+02  0.797431D+01
                61            62            63            64            65 
      1   0.508820D+01  0.407214D+01 -0.585685D+01 -0.460594D+01  0.514773D+00
      2  -0.257252D+02 -0.315282D+01  0.161616D+02  0.416501D+01 -0.416216D+01
      3  -0.893926D+01  0.100986D+02 -0.230898D+01  0.246202D+02 -0.778919D+01
                66            67            68            69            70 
      1  -0.264508D+00  0.469597D+00  0.127934D+01 -0.176941D+01 -0.409441D+01
      2   0.179669D+02 -0.106594D+02  0.100355D+02  0.318103D+00  0.193787D+02
      3   0.606225D+01 -0.730159D+01 -0.176746D+02 -0.899504D+01  0.113104D+02
                71            72            73            74            75 
      1   0.520984D+01 -0.634005D+00 -0.477780D+00  0.314774D+01 -0.597424D+01
      2  -0.712588D+00 -0.306702D+02 -0.177285D+01  0.717344D+01 -0.101421D+02
      3  -0.115502D+02  0.254825D+01 -0.287829D+02 -0.873440D+01 -0.508605D+01
                76            77            78            79            80 
      1   0.357416D+01 -0.720190D+01  0.469128D+00 -0.801941D+01  0.667261D+01
      2   0.885238D+01 -0.103533D+02  0.450462D+01 -0.188735D+02  0.736205D+01
      3  -0.225578D+01  0.887632D+01  0.763347D+01 -0.650438D+01  0.108967D+02
                81            82            83            84            85 
      1   0.844774D+01  0.252502D+01 -0.124608D+01  0.358878D+01 -0.267364D+01
      2   0.177880D+02 -0.240067D+01  0.738809D+01 -0.184130D+02  0.934524D+01
      3  -0.159848D+01 -0.214334D+02  0.467184D+01 -0.975416D+01  0.223119D+02
                86            87            88            89            90 
      1  -0.251109D+00 -0.368619D+01  0.547495D+01  0.280291D+00 -0.189971D+01
      2  -0.196114D+02 -0.118103D+01 -0.344989D+02 -0.356994D+01  0.205210D+02
      3   0.283252D+02  0.221063D+02 -0.103486D+02  0.205132D+02 -0.234156D+01
                91            92            93            94            95 
      1  -0.192385D+01 -0.320422D+00  0.235378D+01  0.119685D+01 -0.774904D+00
      2   0.849105D-01  0.108581D+01  0.124971D+00  0.185414D+01  0.600819D+01
      3  -0.108646D+02  0.278853D+01 -0.846842D+00  0.320311D+02 -0.174803D+01
                96            97            98            99           100 
      1  -0.946806D+00  0.551435D+01  0.771044D+01  0.268243D+01  0.206847D+01
      2  -0.101234D+02 -0.156675D+02 -0.120256D+02 -0.108640D+02  0.144088D+01
      3  -0.460602D+01 -0.143141D+01 -0.736060D+01  0.854468D+01  0.226822D+02
               101           102           103           104           105 
      1   0.305363D+01 -0.561686D+01 -0.674304D+00  0.111220D+01 -0.368882D+01
      2  -0.509986D+00  0.908938D+00 -0.101445D+00 -0.152099D+01  0.139437D+02
      3  -0.113688D+02  0.188681D+01 -0.200744D+01 -0.483622D+01 -0.677113D+00
               106           107           108           109           110 
      1  -0.422109D+01 -0.398653D+01  0.157188D+01 -0.193517D+01 -0.303927D+01
      2  -0.721350D+01  0.945183D+01  0.171868D+02 -0.113119D+02  0.104572D+01
      3   0.612801D+01 -0.472342D+01 -0.758351D+01 -0.197617D+01 -0.396864D+01
               111           112           113           114           115 
      1   0.272278D+01 -0.675409D+00  0.445723D+00 -0.286446D+01  0.542157D+00
      2   0.108497D+02 -0.531267D+00 -0.851139D+01 -0.972420D+01  0.600949D+01
      3  -0.566967D+00 -0.470509D+01  0.938041D+01  0.881012D+01 -0.851331D+01
               116           117           118           119           120 
      1   0.750643D+01 -0.611305D+01  0.312720D+01 -0.141270D+01  0.727147D+00
      2  -0.483527D+01 -0.359171D+02  0.649169D+01 -0.101225D+01  0.220983D+01
      3   0.127153D+02  0.653837D+01 -0.724715D+01  0.752924D+01 -0.250179D+01
               121           122           123           124           125 
      1  -0.198912D+01  0.288431D+01 -0.223195D+01 -0.290743D+01  0.669615D+01
      2   0.112928D+01  0.705948D+01 -0.227975D+01  0.977471D-01 -0.506213D+01
      3   0.892083D+01 -0.698409D+01 -0.475471D+01  0.467604D+01 -0.868749D+01
               126           127           128           129           130 
      1   0.489059D+01 -0.609422D+00  0.130985D+01 -0.482818D+00 -0.812432D+00
      2   0.182092D+02 -0.395334D+01 -0.619656D+00 -0.552112D+00 -0.172565D+01
      3   0.618130D+01  0.225459D+01 -0.168819D+00  0.690326D+00  0.322501D+01
               131           132           133           134           135 
      1   0.344442D+00 -0.324171D+01 -0.826184D+00  0.233576D+01 -0.244980D+01
      2   0.198874D+00  0.544896D+00 -0.349250D+01  0.338523D+00  0.188657D+01
      3  -0.912365D+00  0.246632D+00  0.188545D+01 -0.163973D+01 -0.300639D+00
               136           137           138           139           140 
      1  -0.120615D+01 -0.173343D+01  0.182723D+01  0.626713D-01  0.160033D+00
      2   0.673044D+01 -0.470201D+00 -0.977829D+00  0.636100D+00  0.141052D+00
      3  -0.318044D+01 -0.843207D+00  0.138867D+01  0.110409D+01  0.604420D+00
               141           142           143           144           145 
      1  -0.182445D+01  0.779100D+00  0.307595D+01 -0.106094D+01  0.144337D+01
      2  -0.881099D+00 -0.440666D+01  0.990242D-01 -0.102009D+01 -0.481492D+01
      3  -0.383024D+00  0.142173D+01  0.169115D+01 -0.944703D+00  0.833297D+00
               146           147           148           149           150 
      1   0.247347D+01  0.549853D+00  0.167739D+00  0.142358D+01 -0.157669D+01
      2  -0.149077D+01 -0.973842D+00 -0.262846D+01 -0.703999D+00 -0.468423D+00
      3  -0.811720D+00  0.564189D-02  0.209583D+01 -0.624777D+00 -0.711752D-01
               151           152           153           154           155 
      1   0.748861D+00  0.440756D+01  0.446471D+00  0.795950D-01 -0.206730D+01
      2  -0.397735D+01 -0.524583D+00  0.469947D+00  0.626737D+01 -0.408507D+00
      3   0.634083D+00 -0.215215D+01 -0.875298D+00 -0.122552D+01 -0.124650D+01
               156           157           158           159           160 
      1   0.698797D+00  0.179010D+00  0.462601D+00 -0.120002D+01 -0.157588D+01
      2  -0.994382D+00  0.684848D+00  0.412428D-01 -0.104416D+01 -0.564015D+01
      3   0.551233D+00  0.153856D+01  0.443123D+00  0.638727D-01 -0.706316D-02
               161           162           163           164           165 
      1   0.401847D+01  0.133486D+01  0.206748D+01 -0.247344D+00 -0.189312D+01
      2   0.602544D+00 -0.892263D+00 -0.522156D+01 -0.193526D+01  0.623240D+01
      3   0.190797D+01 -0.360094D+00  0.269289D+01 -0.307742D+01 -0.124535D+00
               166           167           168           169           170 
      1   0.752306D+00  0.201276D+00 -0.880678D+00 -0.216410D+01  0.145583D+01
      2  -0.195675D+01 -0.166308D+01  0.546271D-01  0.125477D+01  0.407691D+01
      3  -0.146506D+01 -0.221451D+01  0.168469D+01 -0.170503D+01  0.356835D+01
               171           172           173           174           175 
      1   0.738351D+01 -0.136055D+01 -0.313707D+00 -0.100800D+01 -0.141476D+01
      2  -0.182926D+02  0.391703D+01  0.712242D+00  0.260603D+01  0.246575D+01
      3  -0.107722D+01 -0.191960D+01 -0.229837D+01  0.462761D+00 -0.184085D+01
               176           177           178           179           180 
      1  -0.500028D+01 -0.418792D+01 -0.194706D+01 -0.191344D+01 -0.147772D+01
      2   0.641940D+01  0.345588D+01  0.400691D+01  0.481801D+01  0.134619D+01
      3  -0.239973D+02 -0.246666D+01  0.177593D+01 -0.703119D+01 -0.249296D+01
               181           182           183           184           185 
      1   0.142543D+01 -0.118706D+01 -0.319448D-01 -0.386566D+00 -0.540413D+00
      2   0.100615D+02  0.447253D+00 -0.691068D+01 -0.187218D+00  0.343483D+01
      3  -0.296960D+01  0.112484D+01 -0.633871D+00  0.337946D+01  0.229765D+01
               186           187           188           189           190 
      1  -0.608165D+00 -0.358817D+00  0.317505D+01  0.508616D+00 -0.287568D+01
      2  -0.395578D+00 -0.111962D+02 -0.119333D+00  0.296973D+02 -0.544337D+01
      3  -0.282368D+01 -0.605473D+00 -0.319657D+01  0.172639D+00  0.254919D+01
               191           192           193           194           195 
      1  -0.295496D+00  0.389282D+01  0.683354D-01 -0.113285D+01 -0.170664D+01
      2   0.117314D+01  0.807364D+01 -0.116757D+00 -0.244244D+01 -0.888676D+00
      3  -0.327281D+01  0.798731D+00 -0.195405D+00  0.747716D+00  0.241708D+01
               196           197           198           199           200 
      1   0.422774D+01  0.390648D+00 -0.124695D+02  0.286569D+01 -0.158246D+01
      2   0.508406D+01 -0.583067D+01 -0.252028D+02  0.621283D+01 -0.455659D+01
      3   0.180993D+01  0.698247D+01  0.309242D+01  0.615794D+01 -0.884125D+01
               201           202           203           204           205 
      1   0.429579D+01 -0.300022D+01  0.298073D+01 -0.430686D+01  0.409709D+01
      2   0.770802D+01 -0.480220D+01  0.802617D+01 -0.664238D+01  0.736935D+01
      3   0.172430D+01 -0.467516D+01  0.147636D+02 -0.536453D+01  0.271013D+01
               206           207           208           209           210 
      1  -0.185818D+01  0.404405D+01 -0.159485D+01 -0.412554D+00 -0.210071D+01
      2  -0.789877D+01  0.779426D+01 -0.230835D+01 -0.972327D+00 -0.665439D+00
      3  -0.103853D+02  0.461460D+01  0.270813D+02  0.121130D+02  0.130084D+01
               211           212           213           214           215 
      1  -0.664129D+00  0.425616D+00 -0.195750D+01 -0.173477D+01 -0.604832D-01
      2  -0.105738D+01  0.434279D+00 -0.949397D+00 -0.370828D+01 -0.237270D+01
      3   0.123357D+02  0.101163D+02 -0.361982D+00  0.167403D+01 -0.132540D+01
               216           217           218           219           220 
      1  -0.112588D+01  0.142596D+01 -0.131897D+00 -0.185482D+01  0.639198D+00
      2  -0.155547D+01 -0.115997D+02 -0.235152D+01  0.132628D+02 -0.182084D+01
      3   0.326261D+01  0.161758D+01 -0.452212D+01  0.811799D+00 -0.451083D+01
               221           222           223           224           225 
      1   0.543231D+00 -0.115189D+01 -0.240742D+01  0.164444D+01  0.421704D+01
      2  -0.297667D+01  0.130832D+01  0.173757D+02  0.373923D+01 -0.329615D+02
      3  -0.380481D+01  0.222366D+01  0.165607D+01  0.642552D+01 -0.807459D+00
               226           227           228           229           230 
      1   0.415305D+00  0.264522D+00 -0.404766D+00  0.856888D+00  0.372609D+01
      2   0.278673D+01 -0.191602D+00  0.263530D+01  0.168047D+01  0.130860D+02
      3  -0.521775D+01 -0.284876D+01 -0.133503D+00 -0.834689D+01 -0.416837D+02
               231           232           233           234           235 
      1  -0.246593D+01 -0.567329D+00  0.143529D+01 -0.613544D+00 -0.293806D+01
      2   0.102581D+02  0.507373D+01  0.940435D+01  0.677656D+01  0.101041D+02
      3  -0.133189D+02 -0.181801D+01 -0.140213D+02 -0.840509D+01  0.143787D+02
               236           237           238           239           240 
      1   0.220407D+01 -0.131371D+01  0.232559D+01 -0.279785D+01  0.779261D+00
      2  -0.382313D+01  0.123638D+02 -0.668997D+01  0.741639D+01 -0.871418D+01
      3  -0.107098D+02  0.672029D+01 -0.130414D+02  0.116763D+02 -0.958688D+01
               241           242           243           244           245 
      1  -0.235361D+01  0.326721D+01 -0.153484D+01 -0.199873D+01 -0.184454D-01
      2   0.145496D+02 -0.498674D+01  0.131684D+02  0.606420D+01  0.154398D+01
      3   0.815944D+01 -0.107896D+02  0.758460D+01 -0.963848D+00 -0.271643D+01
               246           247           248           249           250 
      1  -0.123735D+01 -0.487545D+00 -0.300359D+00 -0.241049D+01 -0.132799D+01
      2   0.349285D+01  0.142551D+01  0.324547D+01  0.583965D+01  0.739778D+00
      3   0.215427D+00 -0.203100D+01 -0.418025D+01 -0.306931D+01  0.297392D+00
               251           252           253           254           255 
      1   0.130965D+01 -0.531613D+01  0.365095D+01 -0.371285D+01 -0.461534D+01
      2   0.495011D+01  0.164475D+02 -0.578733D+01 -0.475859D+01  0.752056D+01
      3  -0.425449D+01 -0.393018D+01  0.205079D+01 -0.200930D+02 -0.265617D-02
               256           257           258           259           260 
      1  -0.772608D+00  0.780009D+01 -0.703253D+01 -0.424663D+01 -0.109942D+01
      2  -0.655307D+01 -0.583413D+01  0.102084D+02  0.717106D+01  0.107722D+02
      3  -0.158410D+02  0.772452D+01  0.678998D+01  0.919256D+00  0.104209D+02
               261           262           263           264           265 
      1  -0.114636D+02 -0.230420D+01  0.273545D+01  0.869157D+00  0.376076D+01
      2   0.115885D+02  0.129565D+00  0.273491D+00  0.301959D+01  0.443177D+00
      3  -0.661782D+01  0.746128D+01 -0.980487D+01  0.247251D+01 -0.112071D+02
               266           267           268           269           270 
      1  -0.511864D+01 -0.117459D+01  0.588124D+00 -0.576199D+00 -0.922940D+00
      2   0.378988D+00 -0.471494D+01  0.137473D+01 -0.190710D+01  0.259671D+00
      3   0.208637D+02 -0.338360D+01 -0.262406D+01  0.365103D+01  0.145540D+01
               271           272           273           274           275 
      1  -0.274177D+01  0.281810D+01  0.332620D+01  0.199091D+01 -0.632780D+01
      2  -0.158443D+01  0.256492D+01 -0.148804D+01  0.194485D+01 -0.207563D+01
      3  -0.124029D+02  0.139721D+02  0.136157D+00  0.115456D+02 -0.237200D+02
               276           277           278           279           280 
      1  -0.342526D+01  0.215195D+01 -0.121478D+01 -0.913164D+00  0.269924D+01
      2   0.102238D+01 -0.229342D+01  0.113592D+01 -0.550448D+00 -0.419021D+01
      3  -0.448937D+00  0.237011D+01 -0.449886D+01 -0.295143D+01 -0.363933D+00
               281           282           283           284           285 
      1   0.123567D+01  0.225084D+01  0.116853D+01  0.380794D+01  0.272118D+01
      2  -0.536722D+00 -0.342807D+01 -0.227572D+01 -0.181944D+01 -0.452169D+01
      3   0.135624D+01 -0.139174D+01  0.193402D+01  0.184481D+01  0.897974D+00
               286           287           288           289           290 
      1   0.130061D+01  0.457894D+01  0.146900D+02 -0.120233D+01 -0.128197D+01
      2  -0.429577D+01 -0.102105D+01 -0.202834D+02  0.481273D+01  0.547430D+00
      3  -0.158345D+01  0.307349D+01 -0.203892D+00  0.660416D+01 -0.464429D+01
               291           292           293           294           295 
      1  -0.327347D+01 -0.148255D+01 -0.189453D+01 -0.121071D+01 -0.230315D+01
      2   0.596864D+01  0.186702D+01  0.104378D+01  0.130047D+01  0.242315D+01
      3   0.853605D+00 -0.621676D+00 -0.437064D+01 -0.200036D-01 -0.572488D-01
               296           297 
      1   0.796269D-01  0.133222D+01
      2   0.741720D+00 -0.151153D+01
      3  -0.112191D+01  0.901910D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.478502D+01 -0.473203D+01 -0.204481D+02  0.970123D+01 -0.118392D+02
      2  -0.961645D+00 -0.137385D+00  0.379983D+01 -0.667718D+00  0.194760D+02
      3   0.574667D+01  0.486942D+01  0.166483D+02 -0.903351D+01 -0.763680D+01
      4  -0.697898D+01 -0.352181D+01 -0.842072D+01  0.282182D+01 -0.170936D+01
      5  -0.191029D+02 -0.694888D+01  0.827476D+00 -0.697641D+01 -0.237259D+01
      6  -0.101725D+02 -0.242807D+00 -0.514951D+00 -0.305754D+01  0.537928D+00
                 6             7             8             9            10 
      1  -0.385618D+01  0.275106D+02  0.107300D+02  0.148728D+02  0.508803D+02
      2   0.775498D+01 -0.652070D+01 -0.673029D+00 -0.629710D+01 -0.191005D+02
      3  -0.389880D+01 -0.209899D+02 -0.100570D+02 -0.857569D+01 -0.317799D+02
      4  -0.146189D+01  0.437693D+01  0.193867D+01 -0.386516D+01  0.412649D+01
      5  -0.687075D+01  0.136578D+02 -0.375413D+01 -0.444701D+01  0.704994D+01
      6   0.168213D+01 -0.578423D+01 -0.366915D+01 -0.118613D+02  0.831997D+00
                11            12            13            14            15 
      1   0.363093D+01  0.451777D+01  0.100336D+01 -0.334944D+01 -0.708860D+01
      2   0.521770D+00  0.270516D+01  0.374515D+01  0.811983D+01  0.296701D+01
      3  -0.415270D+01 -0.722293D+01 -0.474851D+01 -0.477038D+01  0.412160D+01
      4   0.129652D+01  0.319794D+01  0.141086D+02  0.391503D+01  0.374696D+00
      5   0.423593D+01  0.617386D+01 -0.967978D+01  0.924890D+00  0.162016D+01
      6   0.140952D+00  0.243689D+01 -0.740883D+01 -0.566782D+01  0.938919D+01
                16            17            18            19            20 
      1   0.107007D+02 -0.806848D+01 -0.179749D+02  0.412240D+01  0.123575D+02
      2  -0.574871D+01 -0.454362D+01  0.124720D+01  0.550951D+01 -0.952640D+01
      3  -0.495203D+01  0.126121D+02  0.167277D+02 -0.963192D+01 -0.283111D+01
      4  -0.126815D+02  0.831814D-01 -0.202504D+01  0.221977D+01  0.575022D+01
      5  -0.143302D+02 -0.557630D+00 -0.255588D+01  0.194751D+02  0.347102D+01
      6  -0.360040D+01  0.657810D+00  0.673695D+01  0.736534D+01 -0.192004D+01
                21            22            23            24            25 
      1   0.215360D+02 -0.810605D+01 -0.262253D+01  0.156269D+02 -0.196681D+02
      2  -0.939167D+01 -0.245227D+01  0.669489D+01  0.271778D+00  0.295599D+01
      3  -0.121443D+02  0.105583D+02 -0.407236D+01 -0.158986D+02  0.167121D+02
      4   0.486880D+01  0.710614D+01 -0.608884D+01 -0.219059D+00 -0.225473D+01
      5  -0.482105D+01  0.917301D+01  0.170674D+01  0.612037D+00  0.999381D+01
      6  -0.507231D+01  0.354127D+01 -0.299778D+00  0.412501D+01  0.125388D+02
                26            27            28            29            30 
      1   0.461598D+01  0.634912D+01  0.673265D+01  0.156378D+01 -0.277777D+01
      2  -0.739171D+00  0.104283D+01  0.782387D+00  0.725657D+00 -0.119009D+01
      3  -0.387681D+01 -0.739195D+01 -0.751504D+01 -0.228944D+01  0.396785D+01
      4  -0.313217D+00  0.738702D+01  0.622115D+01  0.474277D+01  0.521556D+00
      5   0.631472D+01  0.635992D+01 -0.102284D+01  0.515891D+00  0.756651D+01
      6   0.631465D+01 -0.798698D+01 -0.662605D+01  0.220636D+01  0.221291D+01
                31            32            33            34            35 
      1  -0.726274D+01 -0.273222D+01 -0.790545D+01  0.477046D+01 -0.575220D+01
      2   0.623346D+01  0.535892D+01  0.128691D-01 -0.617125D+01 -0.787075D+01
      3   0.102928D+01 -0.262670D+01  0.789259D+01  0.140079D+01  0.136229D+02
      4   0.166873D+02 -0.805561D-01 -0.294015D+01 -0.118320D+02 -0.657856D+01
      5  -0.133517D+02 -0.255878D+01  0.279950D+01 -0.156495D+02 -0.210741D+00
      6  -0.189150D+01 -0.373783D+01  0.786203D+01 -0.664424D+01  0.864484D-01
                36            37            38            39            40 
      1  -0.226001D+02  0.102619D+02 -0.204007D+01 -0.256559D+02  0.650869D+01
      2   0.485647D+01 -0.905600D+01 -0.146798D+01  0.322516D+01  0.379637D+01
      3   0.177436D+02 -0.120587D+01  0.350806D+01  0.224307D+02 -0.103051D+02
      4   0.303685D+00 -0.951484D+01 -0.523259D+01 -0.911174D+01  0.894779D+01
      5   0.152227D+01 -0.910199D+01 -0.641514D+01 -0.431107D+01 -0.526121D+01
      6   0.781448D+01 -0.713247D+01  0.105123D+01 -0.482227D+01 -0.262063D+01
                41            42            43            44            45 
      1  -0.102634D+02  0.189169D+00  0.179622D+02  0.882530D+01  0.102422D+02
      2   0.140452D+02  0.777984D+01 -0.307266D+00  0.367334D+01 -0.593414D+01
      3  -0.378178D+01 -0.796901D+01 -0.176550D+02 -0.124986D+02 -0.430810D+01
      4   0.324446D+00 -0.147237D+01  0.975448D+00  0.454024D+01 -0.476635D+01
      5  -0.107212D+01 -0.108469D+02  0.838038D+01 -0.547338D+01 -0.355416D+01
      6   0.358152D+01  0.600361D+01 -0.831019D+01 -0.238912D+01 -0.137370D+02
                46            47            48            49            50 
      1  -0.587652D+01  0.784267D+01  0.212419D+02 -0.245970D+02 -0.401030D+01
      2   0.925824D+01 -0.387256D+01 -0.837650D+01  0.757696D+01  0.402820D+01
      3  -0.338172D+01 -0.397011D+01 -0.128654D+02  0.170200D+02 -0.178993D-01
      4  -0.368784D-01  0.789333D+01  0.433563D+01  0.108395D+02 -0.410560D+01
      5   0.122603D+02  0.102823D+01 -0.959654D+01  0.447545D+01 -0.234039D+01
      6   0.476974D+01 -0.448240D+01 -0.727884D+01  0.100376D+01 -0.113778D+01
                51            52            53            54            55 
      1   0.203008D+02 -0.305063D+02  0.433009D+01 -0.756030D+00 -0.488338D+02
      2   0.805173D+00  0.449853D+01  0.299053D+00  0.381263D+01  0.210573D+02
      3  -0.211060D+02  0.260078D+02 -0.462914D+01 -0.305660D+01  0.277766D+02
      4  -0.371399D+00 -0.451656D+01 -0.151012D+01  0.569142D+01  0.924176D+01
      5   0.177575D+01  0.937806D+00  0.508560D+01  0.835130D+01 -0.782213D+01
      6   0.940210D+01  0.100927D+02  0.786394D+01 -0.113642D+02 -0.235580D+01
                56            57            58            59            60 
      1   0.102590D+02 -0.643636D+01  0.460893D+02 -0.112810D+01  0.127624D+02
      2  -0.597299D+01  0.451575D+00 -0.323993D+02 -0.176170D+02 -0.110831D+02
      3  -0.428600D+01  0.598478D+01 -0.136901D+02  0.187451D+02 -0.167926D+01
      4  -0.103259D+02  0.502813D+01 -0.265740D+02 -0.386070D+02 -0.120897D+02
      5   0.467785D+01 -0.158504D+02  0.115013D+02 -0.122672D+02  0.268905D+00
      6   0.125194D+01 -0.388303D+01  0.184967D-02 -0.636506D+01 -0.789267D+00
                61            62            63            64            65 
      1  -0.357193D+02  0.108053D+02 -0.159146D+02 -0.175795D+02 -0.396829D+02
      2   0.897262D+01 -0.124098D+02  0.133417D+02  0.139076D+02  0.197027D+02
      3   0.267467D+02  0.160447D+01  0.257292D+01  0.367188D+01  0.199802D+02
      4   0.859699D+01 -0.189797D+02 -0.747358D+01 -0.436811D+02  0.522806D+01
      5  -0.334485D+02 -0.679137D+01  0.342783D+02 -0.515362D+01 -0.126208D+02
      6  -0.683552D+01 -0.359039D+01  0.938670D+01 -0.321586D+01 -0.235096D+01
                66            67            68            69            70 
      1  -0.929890D+01 -0.802044D+02  0.126854D+02 -0.150095D+02  0.134663D+02
      2   0.361901D+00  0.425290D+02 -0.823807D+01  0.656316D+01 -0.694262D+01
      3   0.893700D+01  0.376753D+02 -0.444735D+01  0.844633D+01 -0.652369D+01
      4  -0.113554D+02  0.136246D+02  0.377243D+02  0.173953D+02 -0.141836D+02
      5   0.243106D+02 -0.228393D+02  0.184505D+02 -0.191589D+01  0.452100D+02
      6  -0.175657D+01  0.236121D+01 -0.630412D+00  0.656413D-01 -0.116020D+00
                71            72            73            74            75 
      1  -0.100125D+02  0.476205D+02  0.383101D+02  0.359266D+02 -0.283795D+01
      2   0.287930D+01 -0.134272D+02 -0.310617D+02 -0.155882D+02 -0.391395D+01
      3   0.713317D+01 -0.341933D+02 -0.724844D+01 -0.203384D+02  0.675190D+01
      4   0.216203D+02 -0.132304D+01  0.317957D+02 -0.202618D+02  0.129954D+02
      5  -0.627465D+00 -0.465620D+02 -0.506664D+01  0.130287D+02 -0.250083D+02
      6   0.479719D+01  0.322457D+00  0.755155D+01 -0.456455D+01  0.122648D+02
                76            77            78            79            80 
      1   0.411942D+02 -0.173560D+02  0.627234D+01 -0.618598D+01  0.867313D+01
      2  -0.180477D+02  0.120604D+02  0.385098D+01 -0.591038D+01  0.410601D+01
      3  -0.231465D+02  0.529566D+01 -0.101233D+02  0.120964D+02 -0.127791D+02
      4  -0.247254D+02 -0.119286D+02 -0.245756D+02  0.160038D+02 -0.331057D+02
      5   0.155363D+02 -0.233287D+02  0.862270D+01 -0.363472D+02  0.158544D+02
      6  -0.814458D+01  0.126026D+02 -0.405741D+01  0.142003D+02 -0.823854D+01
                81            82            83            84            85 
      1  -0.275686D+02  0.238699D+02  0.445621D+02  0.114406D+01  0.638836D+02
      2   0.165580D+02 -0.642611D+01 -0.255708D+02  0.301953D+01 -0.380939D+02
      3   0.110105D+02 -0.174438D+02 -0.189913D+02 -0.416358D+01 -0.257897D+02
      4   0.229409D+02  0.477602D+02 -0.559055D+01  0.197586D+02 -0.223809D+02
      5   0.383657D+02 -0.260106D+01  0.217969D+02 -0.407495D+02  0.284276D+02
      6  -0.121772D+02  0.630437D+01 -0.864313D+00 -0.889725D+00 -0.559291D+01
                86            87            88            89            90 
      1  -0.858752D+01  0.282806D+02 -0.680402D+01  0.237442D+02 -0.568537D+02
      2  -0.477419D+00 -0.198365D+02  0.653508D+01 -0.170833D+02  0.287415D+02
      3   0.906493D+01 -0.844409D+01  0.268944D+00 -0.666087D+01  0.281122D+02
      4  -0.503508D+02 -0.369476D+02  0.213619D+02 -0.342045D+02 -0.341229D+01
      5  -0.396398D+02  0.358398D+01 -0.631027D+02 -0.181263D+01  0.337443D+02
      6  -0.126958D+02 -0.774274D+01 -0.242084D+01 -0.766350D+01  0.528762D+01
                91            92            93            94            95 
      1   0.103819D+02  0.167530D+02 -0.727496D+01  0.275124D+02 -0.139093D+02
      2  -0.316397D+01 -0.121553D+02  0.457888D+01 -0.178614D+02  0.483632D+01
      3  -0.721798D+01 -0.459778D+01  0.269608D+01 -0.965102D+01  0.907296D+01
      4   0.119886D+02 -0.108256D+02  0.404060D+00 -0.380542D+02 -0.273627D+01
      5  -0.608910D+01  0.401544D+00 -0.694542D+01  0.737186D+01  0.655892D+01
      6   0.936522D-02  0.954617D+00 -0.557845D+01  0.495968D+01  0.741779D+01
                96            97            98            99           100 
      1  -0.270722D+01  0.287375D+00 -0.476754D+01  0.105640D+01 -0.352922D+01
      2   0.432211D+01  0.619719D+01  0.112369D+02 -0.242488D+01  0.459070D+01
      3  -0.161488D+01 -0.648457D+01 -0.646940D+01  0.136848D+01 -0.106147D+01
      4   0.651494D+01  0.820900D+01  0.161059D+02 -0.239762D+02  0.320096D+01
      5  -0.194986D+02 -0.145244D+02 -0.228497D+02 -0.230507D+02  0.151465D+02
      6  -0.991423D+01 -0.124508D+02 -0.125651D+02 -0.803940D+01 -0.129378D+01
               101           102           103           104           105 
      1  -0.478271D+01  0.941821D+01  0.625181D+01  0.154922D+02 -0.242295D+01
      2   0.386882D+01 -0.658808D+01 -0.742442D+01 -0.627818D+01  0.241307D+01
      3   0.913894D+00 -0.283013D+01  0.117261D+01 -0.921403D+01  0.987871D-02
      4   0.828376D+01 -0.892677D+00  0.137906D+02 -0.776010D+01 -0.179973D+00
      5  -0.554943D+00 -0.132521D+02 -0.265593D+01  0.833615D-01  0.263836D+02
      6   0.270122D+00  0.811789D+01 -0.152045D+01  0.179103D+01 -0.636727D+01
               106           107           108           109           110 
      1   0.241688D+02 -0.425327D+01 -0.146907D+02  0.430004D+02 -0.889823D+01
      2  -0.121656D+02 -0.103164D+01  0.129003D+02 -0.252937D+02  0.396916D+01
      3  -0.120032D+02  0.528490D+01  0.179038D+01 -0.177067D+02  0.492907D+01
      4  -0.101820D+02  0.763420D+01  0.191816D+02 -0.147112D+02  0.113152D+02
      5  -0.307114D+02  0.191325D+02  0.296140D+02 -0.367020D+02  0.333845D+01
      6   0.104336D+02 -0.115352D+02 -0.572816D+01  0.719022D+01 -0.298558D+01
               111           112           113           114           115 
      1  -0.267380D+02 -0.126952D+02  0.122595D+01  0.222497D+00 -0.446399D+02
      2   0.177448D+02  0.384709D+01  0.385254D+01 -0.623490D+00  0.272857D+02
      3   0.899328D+01  0.884808D+01 -0.507849D+01  0.400993D+00  0.173542D+02
      4   0.572013D+01  0.192220D+02 -0.158559D+02 -0.181723D+02  0.173545D+02
      5   0.299263D+02  0.926499D+01 -0.186712D+02 -0.193794D+02  0.437756D+02
      6  -0.588690D+01 -0.400599D+01  0.862780D+01  0.145242D+02 -0.720830D+01
               116           117           118           119           120 
      1   0.401317D+01  0.125411D+02  0.333022D+01  0.679894D+01  0.151083D+02
      2  -0.167496D+01 -0.227585D+02 -0.100654D+02  0.341924D+01 -0.103189D+02
      3  -0.233821D+01  0.102173D+02  0.673513D+01 -0.102182D+02 -0.478947D+01
      4  -0.252904D+02 -0.130929D+02  0.139907D+02 -0.190743D+02 -0.136434D+01
      5  -0.129217D+02 -0.753775D+02  0.137668D+02  0.216753D+01  0.978919D+01
      6   0.138368D+02  0.198401D+02 -0.821876D+00 -0.159977D+01 -0.116159D+01
               121           122           123           124           125 
      1   0.157701D+02 -0.247587D+02  0.632384D+01  0.249563D+02 -0.619770D+00
      2   0.877998D+00  0.761736D+01 -0.479563D+01 -0.144490D+02 -0.207394D+01
      3  -0.166481D+02  0.171413D+02 -0.152820D+01 -0.105073D+02  0.269371D+01
      4  -0.215693D+02  0.259656D+02  0.780298D+01 -0.160451D+02  0.198933D+02
      5   0.350923D+00  0.724698D+01 -0.477079D+01  0.273479D+02 -0.167823D+02
      6  -0.136025D+01 -0.494680D+01  0.851635D+01 -0.703719D+01  0.137428D+02
               126           127           128           129           130 
      1   0.371045D+01  0.174321D+00 -0.275513D+01 -0.197331D+01 -0.810742D+00
      2  -0.127688D+02 -0.102416D+01  0.257915D+01 -0.248136D+00  0.110189D+00
      3   0.905830D+01  0.849844D+00  0.175976D+00  0.222145D+01  0.700553D+00
      4  -0.141765D+02  0.432997D+01  0.430675D+01  0.433231D+01  0.410789D+01
      5   0.411778D+02  0.782049D+01  0.468703D+01  0.846045D+01  0.592652D+01
      6  -0.141993D+02  0.543627D+01  0.452959D+01  0.602523D+01  0.488274D+01
               131           132           133           134           135 
      1  -0.768242D+01 -0.833071D+01 -0.346751D+01 -0.111589D+02 -0.192170D+02
      2   0.453502D+01  0.137353D+01 -0.138786D+01  0.471239D+01 -0.284141D+00
      3   0.314740D+01  0.695717D+01  0.485537D+01  0.644656D+01  0.195012D+02
      4   0.523518D+01  0.407231D+01  0.437664D+01  0.418913D+01  0.485694D+01
      5   0.574601D+01  0.791815D+01  0.972462D+01  0.656167D+01  0.143664D+02
      6   0.912535D+01  0.103260D+02  0.668037D+01  0.126518D+02  0.175818D+02
               136           137           138           139           140 
      1   0.489481D+01 -0.195268D+00  0.172369D+01  0.115415D+01 -0.238333D+01
      2  -0.588129D+01  0.421844D+00  0.374438D+01  0.707636D+00  0.331603D+00
      3   0.986484D+00 -0.226576D+00 -0.546808D+01 -0.186179D+01  0.205173D+01
      4  -0.492027D+01  0.304514D+01  0.255538D+01  0.229713D+01 -0.177788D+01
      5  -0.993051D+01  0.143500D+01  0.904622D+01  0.265716D+01 -0.237380D+01
      6   0.115486D+01 -0.195267D+01 -0.117858D+01 -0.186261D+01  0.251865D+01
               141           142           143           144           145 
      1  -0.450244D+01  0.426361D+01 -0.375004D+01 -0.139571D+02 -0.276417D+01
      2  -0.774461D+00  0.383089D+01  0.598531D+00 -0.694618D+01 -0.251650D+01
      3   0.527690D+01 -0.809450D+01  0.315150D+01  0.209033D+02  0.528067D+01
      4  -0.229774D+01  0.429453D+01 -0.446089D+01 -0.613186D+01  0.443659D+01
      5  -0.239924D+01  0.113970D+02 -0.294849D+01 -0.151615D+02  0.100676D+02
      6   0.370004D+01 -0.353567D+01  0.559757D+01  0.689046D+01  0.597046D+01
               146           147           148           149           150 
      1  -0.354550D+01 -0.536208D+01 -0.377208D+01 -0.806855D+01 -0.121901D+02
      2   0.974528D+00 -0.220067D+01 -0.110859D+01  0.189363D+01 -0.138628D+01
      3   0.257097D+01  0.756275D+01  0.488067D+01  0.617492D+01  0.135763D+02
      4   0.432047D+01  0.400523D+01  0.299996D+01  0.367755D+01  0.323885D+01
      5   0.565633D+01  0.117451D+02  0.653841D+01  0.546422D+01  0.936071D+01
      6   0.527489D+01  0.675199D+01  0.457947D+01  0.874860D+01  0.106701D+02
               151           152           153           154           155 
      1  -0.764468D+01 -0.124287D+02 -0.262201D+02  0.374324D+00 -0.451756D+00
      2  -0.269165D+01  0.118896D+01 -0.712031D+01 -0.853659D+01  0.990181D+00
      3   0.103363D+02  0.112397D+02  0.333404D+02  0.816226D+01 -0.538425D+00
      4   0.386371D+01  0.375174D+01  0.397540D+01 -0.341276D+01  0.296527D+01
      5   0.111812D+02  0.706006D+01  0.175351D+02 -0.156253D+02  0.206883D+01
      6   0.715982D+01  0.130895D+02  0.192091D+02  0.834237D+00 -0.276363D+01
               156           157           158           159           160 
      1   0.449928D+01  0.373633D+01 -0.242624D+01 -0.630135D+01  0.375980D+01
      2   0.860994D+01  0.125383D-01 -0.444239D+00 -0.241907D+01  0.936635D+01
      3  -0.131092D+02 -0.374887D+01  0.287048D+01  0.872042D+01 -0.131262D+02
      4   0.307612D+01  0.135121D+01 -0.119584D+01 -0.297191D+01  0.525767D+01
      5   0.164239D+02  0.221626D+01 -0.303041D+01 -0.378321D+01  0.170886D+02
      6  -0.804330D-01 -0.197287D+01  0.243784D+01  0.380705D+01 -0.312750D+01
               161           162           163           164           165 
      1  -0.316237D+01 -0.206747D+02  0.134826D+02 -0.449687D+00 -0.822614D+01
      2  -0.111553D+01 -0.156186D+02 -0.108112D+02  0.477642D+00  0.648283D+01
      3   0.427790D+01  0.362933D+02 -0.267145D+01 -0.279548D-01  0.174331D+01
      4  -0.446228D+01 -0.608562D+01  0.344885D+01  0.682802D+01 -0.607798D+01
      5  -0.397032D+01 -0.251528D+02 -0.163485D+02 -0.530732D+01  0.175499D+02
      6   0.595036D+01  0.609938D+01 -0.389551D+01 -0.245677D+01  0.399080D+01
               166           167           168           169           170 
      1  -0.850461D+01 -0.126862D+01  0.959808D+00 -0.147157D+02  0.110482D+01
      2   0.484337D+01  0.183648D+01 -0.656830D+00  0.121100D+02  0.567495D+00
      3   0.366124D+01 -0.567859D+00 -0.302978D+00  0.260568D+01 -0.167231D+01
      4   0.577367D+01  0.650841D+01 -0.543418D+01 -0.823383D+01 -0.889228D+01
      5  -0.195434D+01 -0.587006D+01  0.987538D+00  0.215232D+02  0.108179D+02
      6  -0.222452D+01 -0.226364D+01  0.540785D+01  0.659137D+01  0.782738D+01
               171           172           173           174           175 
      1  -0.441611D+01  0.700157D+01  0.712278D+01  0.372348D+01  0.794012D+01
      2  -0.113750D+02  0.139206D+01 -0.165100D+01 -0.121883D+01  0.508133D+01
      3   0.157912D+02 -0.839362D+01 -0.547179D+01 -0.250465D+01 -0.130215D+02
      4   0.108007D+02  0.101691D+02  0.129649D+02  0.710416D+00  0.238617D+02
      5  -0.427298D+02  0.464183D+01  0.820023D-01  0.413754D+01  0.148555D+01
      6  -0.146668D+02  0.169863D+01  0.198536D-01  0.730267D+00  0.117977D+01
               176           177           178           179           180 
      1  -0.173525D+02 -0.177422D+01  0.162515D+02 -0.371328D+01 -0.206772D-01
      2   0.388047D+02  0.430129D+01 -0.403791D+01  0.829239D+01  0.182228D+01
      3  -0.214522D+02 -0.252707D+01 -0.122136D+02 -0.457910D+01 -0.180161D+01
      4   0.537076D+02  0.638505D+01  0.674991D+01  0.156373D+02  0.838055D+01
      5   0.580673D+01  0.543899D+01  0.895220D+01  0.814003D+01  0.242243D+01
      6   0.296325D+01  0.555175D+01  0.318230D+01  0.739438D+01  0.275306D+01
               181           182           183           184           185 
      1  -0.116977D+02  0.470556D+01  0.142049D+02  0.952972D+01 -0.783848D+01
      2   0.116393D+01 -0.211079D+01 -0.291608D+01 -0.459180D+01  0.321933D+01
      3   0.105337D+02 -0.259477D+01 -0.112888D+02 -0.493792D+01  0.461915D+01
      4   0.552555D+01 -0.196054D+01  0.166119D+01  0.394712D+00 -0.477160D+01
      5   0.778637D+01  0.151819D+01 -0.489951D+01  0.129626D+01  0.388398D+01
      6  -0.570233D+00 -0.494350D+00  0.317246D+00 -0.141268D+01 -0.764385D-01
               186           187           188           189           190 
      1   0.241713D+01  0.228000D+02  0.334313D+01 -0.298614D+02  0.124143D+02
      2  -0.111717D+01 -0.799560D+01 -0.188339D+01 -0.715300D+01 -0.662935D+01
      3  -0.129996D+01 -0.148044D+02 -0.145974D+01  0.370144D+02 -0.578491D+01
      4   0.424779D+01  0.251980D+01  0.647006D+01 -0.956781D-02 -0.116525D+02
      5  -0.884420D+00 -0.305642D+01  0.339082D+00  0.471714D+02 -0.161510D+02
      6   0.696582D+01  0.218234D+00  0.378246D+01 -0.131130D+01  0.424236D+01
               191           192           193           194           195 
      1  -0.621432D+01 -0.123561D+02 -0.179583D+01  0.205655D+01 -0.257010D+01
      2   0.135014D+01  0.877643D+01 -0.633037D+00 -0.536993D+00  0.272332D+01
      3   0.486419D+01  0.357969D+01  0.242887D+01 -0.151956D+01 -0.153227D+00
      4   0.110509D+02  0.617807D+01  0.796228D+01 -0.470062D+01 -0.628686D+01
      5   0.350300D+01  0.200816D+02 -0.168016D+00 -0.635862D+01 -0.265636D+01
      6  -0.173377D+01 -0.674418D+01 -0.170666D+01  0.221761D+01  0.634888D+01
               196           197           198           199           200 
      1  -0.184559D+02 -0.132460D+01  0.810419D+01  0.322521D+02 -0.204326D+02
      2   0.123303D+02  0.303746D+01 -0.145080D+02 -0.777317D+01  0.814285D+00
      3   0.612559D+01 -0.171286D+01  0.640382D+01 -0.244789D+02  0.196183D+02
      4   0.107832D+02 -0.148494D+02 -0.182623D+02 -0.392468D+02  0.356298D+02
      5   0.250045D+02 -0.139676D+02 -0.552272D+02  0.159935D+02 -0.104338D+02
      6  -0.892427D+01  0.906302D+01  0.211238D+02 -0.796774D+01  0.655083D+01
               201           202           203           204           205 
      1   0.111317D+02 -0.188602D+02  0.967774D+01 -0.349233D+01  0.182628D+02
      2  -0.308631D+01 -0.676013D+00  0.124635D+02 -0.371465D+01 -0.549485D+01
      3  -0.804540D+01  0.195362D+02 -0.221412D+02  0.720699D+01 -0.127680D+02
      4  -0.133036D+02  0.366839D+02 -0.467944D+02  0.186670D+02 -0.231342D+02
      5   0.155048D+02 -0.114098D+02  0.166372D+02 -0.121904D+02  0.210487D+02
      6  -0.770026D+01  0.772710D+01 -0.117494D+02  0.903953D+01 -0.103620D+02
               206           207           208           209           210 
      1  -0.583596D+01  0.965885D+01 -0.571003D+02 -0.236500D+02 -0.116029D+01
      2  -0.460611D+01 -0.399102D+01  0.336779D+02  0.204859D+02  0.112721D+01
      3   0.104421D+02 -0.566783D+01  0.234223D+02  0.316406D+01  0.330798D-01
      4   0.297838D+02 -0.203561D+02  0.548307D+01 -0.927611D+01 -0.174414D+01
      5  -0.171610D+02  0.170048D+02 -0.160280D+01 -0.244768D+01 -0.132001D+01
      6   0.118390D+02 -0.103916D+02 -0.162854D+01 -0.431256D+00  0.255438D+01
               211           212           213           214           215 
      1  -0.180174D+02 -0.200491D+02 -0.982640D+00 -0.176673D+01 -0.901623D-02
      2   0.153747D+02  0.187384D+02 -0.622357D-01  0.181429D+01 -0.625131D+00
      3   0.264272D+01  0.131070D+01  0.104488D+01 -0.475590D-01  0.634147D+00
      4  -0.168040D+01 -0.606770D+01  0.180776D+01 -0.766274D+00  0.350650D+01
      5  -0.129620D+01  0.121765D+01 -0.220730D+01  0.196544D+01 -0.429779D+01
      6   0.799055D+00 -0.660766D+00  0.333041D+01  0.164475D+01  0.436582D+01
               216           217           218           219           220 
      1  -0.423745D+01  0.421749D+02  0.138961D+01 -0.240360D+02 -0.445920D+01
      2   0.203269D+01 -0.225698D+02  0.121844D+00  0.116882D+02  0.376730D+01
      3   0.220477D+01 -0.196051D+02 -0.151146D+01  0.123478D+02  0.691894D+00
      4  -0.411117D+01  0.329457D+01  0.843356D+01 -0.591896D+01  0.132800D+02
      5  -0.402771D+01 -0.237537D+02 -0.520353D+01  0.261388D+02 -0.438563D+01
      6   0.118820D+01 -0.323734D+01 -0.517208D+00  0.278989D+01 -0.118189D+01
               221           222           223           224           225 
      1   0.841659D+01 -0.408850D+01 -0.522148D+02 -0.920149D+01  0.343188D+02
      2  -0.290380D+01  0.175156D+01  0.270928D+02  0.393086D+01 -0.213041D+02
      3  -0.551279D+01  0.233694D+01  0.251220D+02  0.527063D+01 -0.130147D+02
      4   0.921491D+01 -0.612343D+01 -0.121791D+02 -0.133000D+02  0.752155D+01
      5  -0.559942D+01  0.203741D+01  0.420192D+02  0.706544D+01 -0.622233D+02
      6   0.161619D+00  0.408457D+01  0.393343D+01  0.423708D+01 -0.758847D+01
               226           227           228           229           230 
      1   0.366084D+01  0.108713D+02  0.567006D+01  0.229124D+02  0.497152D+01
      2  -0.254135D-01 -0.429930D+01 -0.273438D+01 -0.755061D+01  0.139033D+02
      3  -0.363542D+01 -0.657196D+01 -0.293568D+01 -0.153618D+02 -0.188748D+02
      4   0.103281D+02  0.107813D+02  0.235218D+01  0.327721D+02  0.827203D+02
      5   0.576418D+01  0.266795D+01  0.683617D+01  0.100713D+02  0.279712D+02
      6   0.282588D+01  0.100556D+01  0.431746D+00  0.586320D+01  0.176633D+02
               231           232           233           234           235 
      1  -0.102837D+01  0.114615D+02 -0.173468D+01  0.664762D+01  0.826418D+02
      2   0.234914D+01 -0.621783D+01  0.262174D+01 -0.457335D+01 -0.472368D+02
      3  -0.132077D+01 -0.524366D+01 -0.887060D+00 -0.207426D+01 -0.354051D+02
      4   0.266713D+02  0.849637D+01  0.269913D+02  0.180625D+02 -0.234316D+02
      5   0.200767D+02  0.172951D+02  0.188031D+02  0.149402D+02  0.388199D+02
      6   0.111427D+02  0.366678D+01  0.111956D+02  0.747952D+01 -0.335063D+01
               236           237           238           239           240 
      1  -0.235321D+02  0.299049D+02 -0.536766D+02  0.195331D+02 -0.173793D+02
      2   0.136475D+02 -0.196633D+02  0.301097D+02 -0.990240D+01  0.127146D+02
      3   0.988464D+01 -0.102416D+02  0.235669D+02 -0.963070D+01  0.466477D+01
      4   0.174902D+02 -0.105640D+02  0.272079D+02 -0.210375D+02  0.177184D+02
      5  -0.124721D+02  0.299827D+02 -0.250773D+02  0.187643D+02 -0.203164D+02
      6   0.207920D+01 -0.585599D+00  0.484217D+01 -0.372957D+01  0.451600D+01
               241           242           243           244           245 
      1   0.462894D+02 -0.110358D+02  0.308285D+02  0.316655D+01  0.632171D+00
      2  -0.303554D+02  0.885059D+01 -0.239320D+02 -0.371772D+01  0.495113D-01
      3  -0.159339D+02  0.218518D+01 -0.689646D+01  0.551171D+00 -0.681682D+00
      4  -0.129876D+02  0.184206D+02 -0.114976D+02  0.497878D+01  0.723962D+01
      5   0.450284D+02 -0.127178D+02  0.337168D+02  0.137065D+02  0.428719D+01
      6  -0.186047D+01  0.487406D+01 -0.313375D+01  0.601235D+01  0.163420D+01
               246           247           248           249           250 
      1   0.810102D+01 -0.460453D+00 -0.751837D+00 -0.112235D+01  0.105866D+02
      2  -0.491617D+01  0.147737D+01  0.289537D+01  0.148521D+01 -0.753504D+01
      3  -0.318485D+01 -0.101692D+01 -0.214354D+01 -0.362860D+00 -0.305154D+01
      4   0.481111D+01  0.111018D+02  0.113920D+02  0.844816D+01  0.631118D+01
      5   0.115145D+02  0.531878D+01  0.880348D+01  0.122153D+02  0.162938D+02
      6   0.337081D+01  0.307501D+01  0.612011D+01  0.924326D+01  0.522848D+01
               251           252           253           254           255 
      1  -0.297906D+01 -0.362895D+01 -0.441179D+02 -0.470696D+02  0.759068D+01
      2   0.130473D+01 -0.695708D+01  0.311123D+01  0.335385D+02  0.206358D+01
      3   0.167433D+01  0.105860D+02  0.410067D+02  0.135311D+02 -0.965426D+01
      4   0.115659D+02  0.125591D+02 -0.583256D+02 -0.101628D+02  0.587028D+01
      5   0.120279D+02  0.358997D+02  0.124498D+02  0.979349D+01  0.633882D+01
      6   0.854711D+01  0.158054D+02  0.590924D+01  0.119092D+00  0.359246D+01
               256           257           258           259           260 
      1  -0.376455D+02  0.139865D+02  0.127746D+02 -0.232097D+01  0.147569D+02
      2   0.297474D+02 -0.181291D+02 -0.545018D+01  0.260995D+01 -0.129913D+02
      3   0.789813D+01  0.414262D+01 -0.732444D+01 -0.288987D+00 -0.176559D+01
      4   0.317443D+01  0.538390D+01 -0.946534D+01 -0.449584D+01 -0.166354D+02
      5   0.280051D+01 -0.147510D+02  0.151672D+02  0.139110D+02  0.156724D+02
      6  -0.572462D+01 -0.914211D+01  0.129814D+02  0.100158D+02  0.157042D+02
               261           262           263           264           265 
      1   0.902263D+01  0.294212D+02 -0.209870D+02  0.459014D+01 -0.240683D+02
      2   0.144078D+02 -0.767711D+01  0.373548D+01 -0.164494D+01  0.154828D+01
      3  -0.234304D+02 -0.217441D+02  0.172516D+02 -0.294520D+01  0.225200D+02
      4   0.210180D+02 -0.316000D+02  0.300008D+02 -0.583586D+01  0.405708D+02
      5   0.146643D+02  0.100411D+02 -0.714843D+01  0.732534D+01 -0.964102D+01
      6   0.430781D+01 -0.400485D+01  0.387311D+01 -0.210342D+01  0.498906D+01
               266           267           268           269           270 
      1   0.184728D+02 -0.338399D+01 -0.648948D+01  0.583559D+01  0.143260D+01
      2   0.734628D+01  0.530621D+00 -0.301829D+00  0.119039D+01 -0.121101D+00
      3  -0.258191D+02  0.285337D+01  0.679131D+01 -0.702598D+01 -0.131150D+01
      4  -0.526064D+02  0.932021D+01  0.873070D+01 -0.968820D+01 -0.426856D+01
      5   0.112704D+02 -0.102368D+02  0.408506D+01 -0.378541D+01  0.231035D+01
      6  -0.753971D+01  0.458463D+01 -0.179045D+01  0.277366D+01 -0.965177D+00
               271           272           273           274           275 
      1  -0.128039D+02  0.270637D+02 -0.155010D+01  0.182179D+02 -0.377313D+02
      2   0.156374D+02 -0.294346D+02 -0.343369D+00 -0.167882D+02  0.525001D+02
      3  -0.283343D+01  0.237089D+01  0.189347D+01 -0.142973D+01 -0.147688D+02
      4   0.250500D+01 -0.453695D+01  0.115305D+01  0.383781D+01  0.222064D+02
      5   0.300593D+01 -0.288409D+01 -0.329892D+01 -0.384057D+01  0.442839D+01
      6  -0.119546D+01  0.399001D+01 -0.493715D+01  0.129548D+01 -0.614911D+01
               276           277           278           279           280 
      1   0.483775D-01  0.370715D+01 -0.569652D+01 -0.702666D+01  0.140959D+01
      2   0.734452D+00 -0.291635D+01  0.912258D+01  0.473780D+01 -0.264673D+01
      3  -0.782829D+00 -0.790792D+00 -0.342606D+01  0.228886D+01  0.123714D+01
      4  -0.169269D+00  0.186800D+01  0.676342D+01 -0.482234D+00  0.284714D+01
      5   0.275510D+01 -0.187251D+01  0.226661D+01  0.622828D+00 -0.451167D+01
      6   0.571702D+01 -0.315095D+01  0.511765D+01  0.798719D+00 -0.223985D+01
               281           282           283           284           285 
      1   0.454177D+01 -0.824245D+01 -0.493306D+00 -0.320270D+01 -0.271176D+01
      2  -0.448550D+01  0.929788D+00 -0.165111D+01 -0.801151D+00 -0.354192D+01
      3  -0.562748D-01  0.731266D+01  0.214442D+01  0.400385D+01  0.625368D+01
      4   0.558698D+00 -0.282692D+01 -0.159581D+01 -0.676572D+01 -0.211273D+01
      5  -0.628978D+00 -0.530167D+00  0.949911D+00 -0.101325D+01 -0.707537D+01
      6   0.120250D+01 -0.283122D+01  0.959058D+00  0.151864D+01 -0.590595D+00
               286           287           288           289           290 
      1  -0.862725D+01  0.125591D+01 -0.184880D+02  0.794223D+02  0.256005D+02
      2   0.308795D+01 -0.512489D+01 -0.151354D+02 -0.250600D+02 -0.122254D+01
      3   0.553929D+01  0.386899D+01  0.336233D+02 -0.543623D+02 -0.243779D+02
      4  -0.606034D+01 -0.780650D+01 -0.353478D+01  0.687727D+02  0.400167D+02
      5   0.558978D+01  0.699266D-01 -0.332145D+02 -0.214575D+02 -0.101871D+02
      6   0.433127D+00  0.449210D+01 -0.198831D+02 -0.839840D+01 -0.679397D+01
               291           292           293           294           295 
      1  -0.539512D+01  0.179226D+02  0.987818D+01 -0.206936D+01  0.853101D+00
      2   0.227393D+01  0.763163D+00  0.660166D+01  0.234791D+00  0.129388D+01
      3   0.312119D+01 -0.186858D+02 -0.164798D+02  0.183457D+01 -0.214698D+01
      4  -0.901078D+01  0.327742D+02  0.261174D+02 -0.362076D+01 -0.577743D+00
      5   0.133210D+02 -0.682479D+01 -0.371759D+01  0.340829D+01  0.123514D+02
      6   0.741822D+01 -0.461894D+01 -0.413317D+01  0.289213D+01  0.629150D+01
               296           297 
      1  -0.126827D+01  0.608898D+01
      2   0.209486D+01 -0.448321D+01
      3  -0.826590D+00 -0.160578D+01
      4   0.118139D+01  0.617145D+01
      5   0.457040D+01 -0.503139D+01
      6   0.322170D+01 -0.248343D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.622966D+00      0.158342D+01      0.528172D+01
   x         -0.395197D+00     -0.100449D+01     -0.335062D+01
   y          0.116479D+00      0.296061D+00      0.987552D+00
   z          0.467266D+00      0.118767D+01      0.396165D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159851D+03      0.236875D+02      0.263558D+02
   aniso      0.751834D+02      0.111410D+02      0.123961D+02
   xx         0.207638D+03      0.307687D+02      0.342348D+02
   yx         0.859183D+01      0.127318D+01      0.141660D+01
   yy         0.129804D+03      0.192349D+02      0.214017D+02
   zx        -0.367802D+01     -0.545026D+00     -0.606423D+00
   zy         0.680300D+01      0.100810D+01      0.112166D+01
   zz         0.142111D+03      0.210587D+02      0.234310D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170837D+03      0.253154D+02      0.281672D+02
   aniso      0.786341D+02      0.116524D+02      0.129650D+02
   xx         0.220720D+03      0.327073D+02      0.363918D+02
   yx         0.915228D+01      0.135623D+01      0.150901D+01
   yy         0.139373D+03      0.206529D+02      0.229795D+02
   zx        -0.424760D+01     -0.629429D+00     -0.700335D+00
   zy         0.710839D+01      0.105336D+01      0.117202D+01
   zz         0.152418D+03      0.225860D+02      0.251303D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.99629869         -1.16659233         -0.62187336
     6         -1.75483707         -1.24733482          2.00410421
     6         -0.07021343         -0.24004431         -2.13652369
     6          2.17462890          0.63549753         -1.06623725
     6          2.43510919          0.54002315          1.54674222
     6          0.49521669         -0.38240268          3.05813231
     6         -3.89475450         -2.18400460          3.62521449
     6         -6.09564098         -0.29327574          3.88218847
     6         -5.25290596          2.16509076          5.13814707
     6         -8.28755635         -1.49877103          5.32370596
     6          4.27618626          1.70037635         -2.70948339
     6          5.08435486         -0.30301368         -4.59334465
     8          4.28789540         -0.53411162         -6.71170882
     8          6.81301502         -1.89912656         -3.59571769
     1         -3.71873201         -1.85008203         -1.49425873
     1         -0.29772683         -0.22034128         -4.16976480
     1          4.17238522          1.19083807          2.41244704
     1          0.73707648         -0.43201145          5.09045120
     1         -3.18744803         -2.63664455          5.51447001
     1         -4.63430534         -3.94358732          2.83210369
     1         -6.74971277          0.15694319          1.96988184
     1         -4.56501341          1.80513489          7.05418313
     1         -6.82285844          3.49646454          5.27469901
     1         -3.73455167          3.07415846          4.08294267
     1         -7.71289306         -1.99705110          7.24533970
     1         -8.94233247         -3.22180452          4.39548544
     1         -9.88744631         -0.20376929          5.46483125
     1          5.89499024          2.07323949         -1.48944743
     6          3.48861887          4.13083532         -4.06245746
     1          7.15849612         -3.17592655         -4.86539219
     1          2.89918868          5.53632259         -2.67697489
     1          1.92125919          3.77471491         -5.34648956
     1          5.05089378          4.90098401         -5.16503231

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.622966D+00      0.158342D+01      0.528172D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.622966D+00      0.158342D+01      0.528172D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159851D+03      0.236875D+02      0.263558D+02
   aniso      0.751834D+02      0.111410D+02      0.123961D+02
   xx         0.178798D+03      0.264951D+02      0.294798D+02
   yx         0.136405D+02      0.202131D+01      0.224901D+01
   yy         0.129333D+03      0.191652D+02      0.213241D+02
   zx        -0.307896D+02     -0.456254D+01     -0.507651D+01
   zy        -0.616562D+01     -0.913651D+00     -0.101657D+01
   zz         0.171421D+03      0.254020D+02      0.282636D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170837D+03      0.253154D+02      0.281672D+02
   aniso      0.786341D+02      0.116524D+02      0.129650D+02
   xx         0.190275D+03      0.281959D+02      0.313722D+02
   yx         0.144054D+02      0.213466D+01      0.237512D+01
   yy         0.138921D+03      0.205860D+02      0.229050D+02
   zx        -0.321460D+02     -0.476355D+01     -0.530017D+01
   zy        -0.664414D+01     -0.984560D+00     -0.109547D+01
   zz         0.183314D+03      0.271643D+02      0.302244D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-K07-14\Freq\RM11\Gen\C13H18O2\PIERPA\13-Sep-2021\0\\#P M1
 1/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=R
 ead Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-0.646549,-0.7381
 31,-0.801564\C,-1.432592,-0.511522,0.329783\C,0.68001,-0.338401,-0.847
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 GOD GAVE US TWO ENDS... ONE TO SIT ON...    
 AND THE OTHER TO THINK WITH...              
 YOUR SUCCESS DEPENDS UPON WHICH END YOU     
 USE THE MOST...                             
                                             
 IT'S A CASE OF HEADS YOU WIN TAILS YOU LOSE.
          SOURCE UNKNOWN(IT'S JUST AS WELL.) 
 Job cpu time:       2 days  1 hours 17 minutes  0.3 seconds.
 Elapsed time:       0 days  6 hours 10 minutes 34.5 seconds.
 File lengths (MBytes):  RWF=    705 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Mon Sep 13 17:50:53 2021.
